| ## |
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 |
135 |
36 |
9835 |
◊ |
A |
x,y,z |
1_555 |
135 |
34 |
9685 |
1286.8 |
-20.6 |
0.033 |
9 |
1 |
0 |
0.291 |
2 |
|
C |
135 |
36 |
9860 |
◊ |
B |
x,y,z |
1_555 |
135 |
35 |
9609 |
1273.5 |
-21.3 |
0.029 |
8 |
0 |
0 |
0.291 |
| Average: |
1280.2 |
-20.9 |
0.031 |
9 |
1 |
0 |
0.291 |
| 2 |
3 |
|
D |
30 |
9 |
9835 |
x |
D |
-x,y-1/2,-z+1 |
2_546 |
33 |
8 |
9835 |
280.7 |
1.1 |
0.800 |
2 |
3 |
0 |
0.000 |
| 3 |
4 |
|
B |
26 |
9 |
9609 |
x |
B |
-x,y-1/2,-z |
2_545 |
31 |
7 |
9609 |
280.1 |
5.8 |
0.963 |
5 |
6 |
0 |
0.000 |
| 4 |
5 |
|
B |
21 |
7 |
9609 |
◊ |
A |
x,y,z |
1_555 |
23 |
7 |
9685 |
231.0 |
3.6 |
0.920 |
3 |
3 |
0 |
0.000 |
6 |
|
D |
23 |
9 |
9835 |
◊ |
C |
x,y,z |
1_555 |
25 |
8 |
9860 |
231.0 |
3.6 |
0.912 |
3 |
3 |
0 |
0.000 |
| Average: |
231.0 |
3.6 |
0.916 |
3 |
3 |
0 |
0.000 |
| 5 |
7 |
|
D |
20 |
7 |
9835 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
24 |
7 |
9685 |
214.2 |
3.1 |
0.903 |
7 |
5 |
0 |
0.000 |
| 6 |
8 |
|
C |
15 |
5 |
9860 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
9685 |
162.1 |
0.7 |
0.751 |
0 |
0 |
0 |
0.000 |
| 7 |
9 |
|
A |
16 |
4 |
9685 |
◊ |
D |
x-1,y,z |
1_455 |
16 |
4 |
9835 |
118.4 |
0.0 |
0.668 |
2 |
0 |
0 |
0.000 |
| 8 |
10 |
|
C |
15 |
7 |
9860 |
x |
C |
x-1,y,z |
1_455 |
13 |
5 |
9860 |
117.0 |
2.2 |
0.896 |
2 |
2 |
0 |
0.000 |
| 9 |
11 |
|
C |
24 |
11 |
9860 |
◊ |
A |
x,y-1,z |
1_545 |
11 |
5 |
9685 |
109.0 |
0.4 |
0.717 |
2 |
2 |
0 |
0.000 |
| 10 |
12 |
|
[EDO]C:252 |
4 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
9860 |
100.7 |
2.2 |
0.430 |
3 |
0 |
0 |
0.000 |
| 11 |
13 |
|
[EDO]C:219 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
9860 |
90.8 |
2.2 |
0.265 |
2 |
0 |
0 |
0.000 |
| 12 |
14 |
|
[EDO]B:252 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
9609 |
82.8 |
2.4 |
0.315 |
5 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[NA]B:249 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
9609 |
71.8 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.276 |
16 |
|
[NA]A:249 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
9685 |
71.8 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.276 |
17 |
|
[NA]D:249 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
7 |
9835 |
70.6 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.276 |
18 |
|
[NA]C:249 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
7 |
9860 |
70.3 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.276 |
| Average: |
71.1 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.276 |
| 14 |
19 |
|
D |
8 |
3 |
9835 |
x |
D |
x-1,y,z |
1_455 |
8 |
5 |
9835 |
70.5 |
1.0 |
0.790 |
1 |
2 |
0 |
0.000 |
20 |
|
A |
7 |
3 |
9685 |
x |
A |
x-1,y,z |
1_455 |
7 |
2 |
9685 |
69.6 |
0.7 |
0.754 |
0 |
2 |
0 |
0.000 |
| Average: |
70.1 |
0.9 |
0.772 |
1 |
2 |
0 |
0.000 |
| 15 |
21 |
|
D |
9 |
3 |
9835 |
x |
D |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
3 |
9835 |
70.0 |
0.3 |
0.694 |
0 |
0 |
0 |
0.000 |
| 16 |
22 |
|
C |
6 |
2 |
9860 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
11 |
5 |
9835 |
67.8 |
-0.1 |
0.623 |
1 |
0 |
0 |
0.000 |
| 17 |
23 |
|
[EDO]B:252 |
4 |
1 |
185 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
9 |
4 |
9609 |
64.9 |
2.0 |
0.241 |
0 |
0 |
0 |
0.000 |
| 18 |
24 |
|
C |
3 |
1 |
9860 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
5 |
9835 |
61.7 |
-1.3 |
0.106 |
0 |
0 |
0 |
0.000 |
| 19 |
25 |
|
B |
6 |
2 |
9609 |
◊ |
A |
x-1,y,z |
1_455 |
7 |
3 |
9685 |
58.0 |
0.9 |
0.762 |
2 |
1 |
0 |
0.000 |
| 20 |
26 |
|
[EDO]C:219 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
5 |
4 |
9835 |
56.6 |
1.6 |
0.884 |
1 |
0 |
0 |
0.000 |
| 21 |
27 |
|
[ZN]D:250 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
2 |
9835 |
41.6 |
-24.7 |
0.000 |
0 |
0 |
0 |
0.556 |
28 |
|
[ZN]B:250 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
9609 |
38.9 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.556 |
29 |
|
[ZN]A:250 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
9685 |
38.5 |
-20.6 |
0.000 |
0 |
0 |
0 |
0.556 |
30 |
|
[ZN]C:250 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
9860 |
35.1 |
-18.7 |
0.000 |
0 |
0 |
0 |
0.556 |
| Average: |
38.5 |
-21.1 |
0.000 |
0 |
0 |
0 |
0.556 |
| 22 |
31 |
|
[ZN]A:250 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
9609 |
37.2 |
-17.0 |
0.000 |
0 |
0 |
0 |
0.221 |
32 |
|
[ZN]C:250 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
9835 |
35.1 |
-15.7 |
0.000 |
0 |
0 |
0 |
0.221 |
| Average: |
36.1 |
-16.4 |
0.000 |
0 |
0 |
0 |
0.221 |
| 23 |
33 |
|
B |
6 |
3 |
9609 |
◊ |
[ZN]B:250 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
98 |
34.2 |
-16.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 24 |
34 |
|
[ZN]D:250 |
1 |
1 |
98 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
4 |
2 |
9835 |
32.3 |
-14.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 25 |
35 |
|
[EDO]C:252 |
2 |
1 |
189 |
f |
[ZN]C:250 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.7 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.032 |
| 26 |
36 |
|
[EDO]B:252 |
1 |
1 |
185 |
◊ |
[ZN]B:250 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
98 |
3.4 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 27 |
37 |
|
[EDO]C:219 |
1 |
1 |
184 |
f |
[ZN]C:250 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.7 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.007 |
| 28 |
38 |
|
[EDO]C:252 |
1 |
1 |
189 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
9835 |
0.4 |
-0.0 |
0.762 |
0 |
0 |
0 |
0.000 |
|