| ## |
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 |
220 |
64 |
15216 |
◊ |
A |
x,y,z |
1_555 |
200 |
52 |
15030 |
2108.5 |
-21.1 |
0.191 |
38 |
11 |
0 |
0.531 |
2 |
|
C |
200 |
52 |
15384 |
◊ |
A |
x,y,z |
1_555 |
223 |
64 |
15030 |
2099.7 |
-21.8 |
0.195 |
38 |
13 |
0 |
0.531 |
3 |
|
C |
219 |
63 |
15384 |
◊ |
B |
x,y,z |
1_555 |
204 |
53 |
15216 |
2088.4 |
-21.8 |
0.186 |
36 |
9 |
0 |
0.531 |
| Average: |
2098.9 |
-21.6 |
0.191 |
37 |
11 |
0 |
0.531 |
| 2 |
4 |
|
A |
103 |
34 |
15030 |
◊ |
C |
-x+3,y-1/2,-z+1/2 |
3_845 |
96 |
34 |
15384 |
892.2 |
-3.3 |
0.717 |
7 |
6 |
0 |
0.115 |
| 3 |
5 |
|
B |
48 |
17 |
15216 |
◊ |
C |
x-1/2,-y+5/2,-z |
4_475 |
46 |
18 |
15384 |
423.7 |
-1.7 |
0.644 |
4 |
2 |
0 |
0.000 |
| 4 |
6 |
|
C |
27 |
9 |
15384 |
◊ |
B |
x-1/2,-y+5/2,-z |
4_475 |
38 |
13 |
15216 |
284.7 |
-2.3 |
0.435 |
1 |
1 |
0 |
0.000 |
| 5 |
7 |
|
B |
30 |
11 |
15216 |
x |
B |
x-1/2,-y+5/2,-z |
4_475 |
27 |
8 |
15216 |
239.6 |
-1.0 |
0.573 |
0 |
0 |
0 |
0.000 |
| 6 |
8 |
|
B |
20 |
6 |
15216 |
◊ |
A |
-x+5/2,-y+2,z-1/2 |
2_774 |
19 |
7 |
15030 |
210.9 |
-2.8 |
0.268 |
0 |
1 |
0 |
0.000 |
| 7 |
9 |
|
A |
34 |
14 |
15030 |
◊ |
C |
-x+2,y-1/2,-z+1/2 |
3_745 |
24 |
11 |
15384 |
198.7 |
-2.7 |
0.392 |
0 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[MPD]A:403 |
7 |
1 |
270 |
f |
C |
-x+3,y-1/2,-z+1/2 |
3_845 |
20 |
9 |
15384 |
124.7 |
-8.2 |
0.680 |
0 |
0 |
0 |
0.130 |
| 9 |
11 |
|
[MPD]B:402 |
6 |
1 |
275 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
15216 |
116.9 |
-7.8 |
0.389 |
0 |
0 |
0 |
0.037 |
| 10 |
12 |
|
[MPD]C:501 |
6 |
1 |
275 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
15030 |
116.5 |
-7.7 |
0.430 |
0 |
0 |
0 |
0.034 |
| 11 |
13 |
|
A |
17 |
5 |
15030 |
f |
[MPD]C:504 |
-x+3,y-1/2,-z+1/2 |
3_845 |
6 |
1 |
267 |
115.2 |
-7.3 |
0.720 |
0 |
0 |
0 |
0.115 |
| 12 |
14 |
|
[MPD]C:503 |
7 |
1 |
274 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
15384 |
114.7 |
-7.5 |
0.424 |
0 |
0 |
0 |
0.118 |
| 13 |
15 |
|
[MPD]C:501 |
6 |
1 |
275 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
15384 |
114.6 |
-7.3 |
0.688 |
1 |
0 |
0 |
0.122 |
| 14 |
16 |
|
B |
10 |
4 |
15216 |
◊ |
C |
x-1,y,z |
1_455 |
11 |
2 |
15384 |
112.9 |
-0.3 |
0.418 |
0 |
0 |
0 |
0.000 |
| 15 |
17 |
|
B |
16 |
6 |
15216 |
f |
[MPD]A:404 |
-x+5/2,-y+2,z-1/2 |
2_774 |
6 |
1 |
275 |
106.6 |
-6.3 |
0.733 |
0 |
0 |
0 |
0.030 |
| 16 |
18 |
|
[MPD]C:503 |
5 |
1 |
274 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
15216 |
106.2 |
-6.9 |
0.579 |
0 |
0 |
0 |
0.031 |
| 17 |
19 |
|
[MPD]B:402 |
6 |
1 |
275 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
15030 |
105.2 |
-6.7 |
0.655 |
0 |
0 |
0 |
0.030 |
| 18 |
20 |
|
[MPD]A:403 |
6 |
1 |
270 |
◊ |
A |
x,y,z |
1_555 |
19 |
8 |
15030 |
101.4 |
-6.1 |
0.743 |
2 |
0 |
0 |
0.111 |
| 19 |
21 |
|
B |
11 |
4 |
15216 |
x |
B |
x-1,y,z |
1_455 |
6 |
1 |
15216 |
89.3 |
-0.1 |
0.620 |
0 |
1 |
0 |
0.000 |
| 20 |
22 |
|
[MPD]C:504 |
7 |
1 |
267 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
15384 |
74.2 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.066 |
| 21 |
23 |
|
[MPD]A:404 |
5 |
1 |
275 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
15030 |
72.4 |
-3.7 |
0.866 |
1 |
0 |
0 |
0.000 |
| 22 |
24 |
|
A |
8 |
2 |
15030 |
x |
A |
x-1,y,z |
1_455 |
8 |
3 |
15030 |
72.2 |
1.4 |
0.836 |
0 |
2 |
0 |
0.000 |
| 23 |
25 |
|
B |
5 |
2 |
15216 |
◊ |
C |
-x+2,y-1/2,-z+1/2 |
3_745 |
8 |
3 |
15384 |
58.3 |
-0.2 |
0.580 |
0 |
0 |
0 |
0.000 |
| 24 |
26 |
|
[CU]A:406 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
15216 |
46.3 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.224 |
27 |
|
[CU]A:402 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
15030 |
46.0 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.224 |
28 |
|
[CU]B:405 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
15384 |
45.9 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.224 |
| Average: |
46.1 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.224 |
| 25 |
29 |
|
[CU]B:405 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
15216 |
44.9 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.079 |
30 |
|
[CU]A:406 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
15030 |
44.7 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.079 |
31 |
|
[CU]A:402 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
15384 |
44.4 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.079 |
| Average: |
44.7 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.079 |
| 26 |
32 |
|
B |
7 |
2 |
15216 |
◊ |
C |
-x+5/2,-y+2,z-1/2 |
2_774 |
2 |
1 |
15384 |
41.9 |
-0.9 |
0.197 |
0 |
0 |
0 |
0.000 |
| 27 |
33 |
|
B |
1 |
1 |
15216 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
1 |
1 |
15030 |
1.7 |
-0.1 |
0.456 |
0 |
0 |
0 |
0.000 |
| 28 |
34 |
|
C |
1 |
1 |
15384 |
x |
C |
x-1,y,z |
1_455 |
1 |
1 |
15384 |
0.5 |
0.0 |
0.618 |
0 |
0 |
0 |
0.000 |
|