## |
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 |
|
D |
370 |
88 |
11897 |
◊ |
C |
x,y,z |
1_555 |
371 |
91 |
11930 |
3451.0 |
-46.8 |
0.188 |
47 |
2 |
0 |
0.441 |
2 |
|
B |
365 |
93 |
12151 |
◊ |
A |
x,y,z |
1_555 |
363 |
89 |
12492 |
3432.6 |
-51.3 |
0.133 |
36 |
0 |
0 |
0.441 |
Average: |
3441.8 |
-49.0 |
0.160 |
42 |
1 |
0 |
0.441 |
2 |
3 |
|
D |
57 |
17 |
11897 |
◊ |
A |
x,y,z |
1_555 |
49 |
13 |
12492 |
528.0 |
-6.8 |
0.367 |
1 |
0 |
0 |
0.033 |
4 |
|
C |
45 |
15 |
11930 |
◊ |
B |
x,y,z |
1_555 |
49 |
16 |
12151 |
447.4 |
-3.1 |
0.670 |
1 |
0 |
0 |
0.033 |
Average: |
487.7 |
-4.9 |
0.518 |
1 |
0 |
0 |
0.033 |
3 |
5 |
|
C |
35 |
7 |
11930 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
34 |
8 |
12492 |
314.8 |
-4.5 |
0.415 |
0 |
0 |
0 |
0.000 |
6 |
|
D |
34 |
8 |
11897 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
32 |
7 |
12151 |
306.8 |
-4.0 |
0.435 |
0 |
0 |
0 |
0.000 |
Average: |
310.8 |
-4.3 |
0.425 |
0 |
0 |
0 |
0.000 |
4 |
7 |
|
C |
16 |
6 |
11930 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
12492 |
218.0 |
-4.6 |
0.137 |
0 |
0 |
0 |
0.014 |
5 |
8 |
|
A |
24 |
6 |
12492 |
◊ |
B |
x-1,y,z |
1_455 |
21 |
4 |
12151 |
205.8 |
2.0 |
0.920 |
5 |
1 |
0 |
0.000 |
6 |
9 |
|
C |
17 |
5 |
11930 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
20 |
6 |
12151 |
181.9 |
0.2 |
0.782 |
1 |
0 |
0 |
0.000 |
10 |
|
D |
19 |
6 |
11897 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
17 |
5 |
12492 |
170.1 |
0.7 |
0.828 |
3 |
0 |
0 |
0.000 |
Average: |
176.0 |
0.4 |
0.805 |
2 |
0 |
0 |
0.000 |
7 |
11 |
|
D |
17 |
5 |
11897 |
◊ |
B |
-x-1,y-1/2,-z-1/2 |
3_444 |
16 |
6 |
12151 |
144.9 |
-0.1 |
0.736 |
0 |
0 |
0 |
0.000 |
8 |
12 |
|
D |
11 |
5 |
11897 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
12151 |
113.9 |
-2.4 |
0.247 |
0 |
0 |
0 |
0.007 |
9 |
13 |
|
[PEG]A:304 |
7 |
1 |
264 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
12151 |
91.5 |
0.6 |
0.194 |
0 |
0 |
0 |
0.000 |
10 |
14 |
|
[BME]A:303 |
4 |
1 |
200 |
f |
A |
x,y,z |
1_555 |
17 |
10 |
12492 |
84.6 |
-2.1 |
0.282 |
5 |
0 |
0 |
0.028 |
11 |
15 |
|
[PEG]A:305 |
7 |
1 |
264 |
◊ |
A |
x,y,z |
1_555 |
20 |
5 |
12492 |
83.4 |
0.9 |
0.257 |
0 |
0 |
0 |
0.000 |
12 |
16 |
|
[PGE]B:302 |
7 |
1 |
323 |
f |
[PEG]A:304 |
x,y,z |
1_555 |
5 |
1 |
264 |
69.2 |
3.1 |
0.078 |
1 |
0 |
0 |
0.000 |
13 |
17 |
|
[BME]A:302 |
2 |
1 |
166 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
12151 |
68.0 |
-3.5 |
0.460 |
2 |
0 |
0 |
0.028 |
14 |
18 |
|
[BME]C:302 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
13 |
8 |
11930 |
59.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.043 |
19 |
|
[BME]D:302 |
1 |
1 |
133 |
f |
D |
x,y,z |
1_555 |
14 |
9 |
11897 |
57.4 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.043 |
Average: |
58.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.043 |
15 |
20 |
|
[BME]A:303 |
4 |
1 |
200 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
12151 |
55.1 |
1.1 |
0.619 |
1 |
0 |
0 |
0.000 |
16 |
21 |
|
[BME]A:302 |
2 |
1 |
166 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
12492 |
47.9 |
0.8 |
0.634 |
0 |
0 |
0 |
0.000 |
17 |
22 |
|
[PEG]A:304 |
3 |
1 |
264 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
12492 |
45.1 |
0.6 |
0.286 |
0 |
0 |
0 |
0.000 |
18 |
23 |
|
[PGE]B:302 |
4 |
1 |
323 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
12151 |
41.7 |
-0.8 |
0.122 |
0 |
0 |
0 |
0.005 |
19 |
24 |
|
[ZN]C:301 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
5 |
11930 |
40.2 |
-29.3 |
0.000 |
0 |
0 |
0 |
0.375 |
25 |
|
[ZN]D:301 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
4 |
3 |
11897 |
38.4 |
-29.2 |
0.000 |
0 |
0 |
0 |
0.375 |
26 |
|
[ZN]B:301 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
6 |
12151 |
37.6 |
-29.3 |
0.000 |
0 |
0 |
0 |
0.375 |
27 |
|
[ZN]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
6 |
12492 |
35.5 |
-27.9 |
0.000 |
0 |
0 |
0 |
0.375 |
Average: |
37.9 |
-28.9 |
0.000 |
0 |
0 |
0 |
0.375 |
20 |
28 |
|
[PEG]A:305 |
3 |
1 |
264 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
12151 |
38.5 |
-0.0 |
0.233 |
0 |
0 |
0 |
0.000 |
21 |
29 |
|
[BME]C:302 |
1 |
1 |
133 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
11897 |
37.7 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.022 |
30 |
|
[BME]D:302 |
1 |
1 |
133 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
11930 |
36.5 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.022 |
Average: |
37.1 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.022 |
22 |
31 |
|
[BME]A:303 |
2 |
1 |
200 |
f |
[ZN]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.0 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.163 |
32 |
|
[BME]A:302 |
1 |
1 |
166 |
f |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.1 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.163 |
Average: |
26.1 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.163 |
23 |
33 |
|
[BME]D:302 |
1 |
1 |
133 |
f |
[ZN]D:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.5 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.068 |
24 |
34 |
|
[BME]C:302 |
1 |
1 |
133 |
f |
[ZN]C:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.0 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.067 |
25 |
35 |
|
A |
2 |
2 |
12492 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
2 |
11930 |
15.6 |
-0.1 |
0.583 |
0 |
0 |
0 |
0.000 |
26 |
36 |
|
[PGE]B:302 |
3 |
1 |
323 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
12151 |
11.5 |
0.3 |
0.217 |
0 |
0 |
0 |
0.000 |
27 |
37 |
|
A |
2 |
1 |
12492 |
x |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
1 |
1 |
12492 |
9.8 |
-0.1 |
0.447 |
0 |
0 |
0 |
0.000 |
28 |
38 |
|
[PGE]B:302 |
2 |
1 |
323 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12492 |
7.8 |
0.1 |
0.249 |
0 |
0 |
0 |
0.000 |
29 |
39 |
|
[PEG]A:305 |
1 |
1 |
264 |
◊ |
[BME]A:303 |
x,y,z |
1_555 |
2 |
1 |
200 |
2.7 |
0.2 |
0.354 |
0 |
0 |
0 |
0.000 |
30 |
40 |
|
[PEG]A:304 |
1 |
1 |
264 |
f |
[BME]A:302 |
x,y,z |
1_555 |
1 |
1 |
166 |
1.1 |
0.1 |
0.378 |
0 |
0 |
0 |
0.000 |
31 |
41 |
|
D |
1 |
1 |
11897 |
◊ |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
1 |
1 |
12492 |
0.3 |
-0.0 |
0.658 |
0 |
0 |
0 |
0.000 |
|