## |
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 |
70 |
26 |
8584 |
◊ |
C |
x,y,z |
1_555 |
69 |
24 |
8504 |
667.2 |
-7.9 |
0.090 |
13 |
0 |
0 |
0.055 |
2 |
|
A |
70 |
25 |
8475 |
◊ |
B |
-y+1,x-y,z |
3_655 |
70 |
25 |
8535 |
660.0 |
-7.7 |
0.110 |
14 |
0 |
0 |
0.055 |
Average: |
663.6 |
-7.8 |
0.100 |
14 |
0 |
0 |
0.055 |
2 |
3 |
|
B |
49 |
14 |
8535 |
◊ |
D |
x-y,x,z-1/2 |
2_554 |
54 |
16 |
8584 |
482.6 |
-1.3 |
0.427 |
9 |
1 |
0 |
0.000 |
4 |
|
D |
49 |
12 |
8584 |
◊ |
B |
x,y,z |
1_555 |
53 |
15 |
8535 |
482.6 |
-2.2 |
0.362 |
9 |
1 |
0 |
0.000 |
5 |
|
A |
47 |
13 |
8475 |
◊ |
C |
-y+1,x-y,z |
3_655 |
50 |
14 |
8504 |
474.6 |
-1.6 |
0.412 |
9 |
1 |
0 |
0.000 |
6 |
|
A |
51 |
15 |
8475 |
◊ |
C |
-x+1,-y,z-1/2 |
4_654 |
47 |
13 |
8504 |
474.1 |
-4.2 |
0.226 |
7 |
0 |
0 |
0.000 |
Average: |
478.5 |
-2.3 |
0.357 |
9 |
1 |
0 |
0.000 |
3 |
7 |
|
D |
40 |
13 |
8584 |
◊ |
A |
x,y,z |
1_555 |
36 |
11 |
8475 |
303.3 |
0.0 |
0.530 |
3 |
0 |
0 |
0.002 |
4 |
8 |
|
C |
15 |
5 |
8504 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
8475 |
125.7 |
0.0 |
0.570 |
0 |
0 |
0 |
0.000 |
5 |
9 |
|
D |
10 |
3 |
8584 |
◊ |
C |
-x+1,-y,z-1/2 |
4_654 |
10 |
4 |
8504 |
91.6 |
0.5 |
0.605 |
1 |
0 |
0 |
0.000 |
6 |
10 |
|
[FE]D:505 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
8584 |
54.6 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.031 |
7 |
11 |
|
[MG]D:504 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
8584 |
52.0 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.032 |
8 |
12 |
|
[FE]D:505 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
8475 |
50.9 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.013 |
9 |
13 |
|
A |
15 |
5 |
8475 |
◊ |
[ZN]B:503 |
-y+1,x-y,z |
3_655 |
1 |
1 |
98 |
47.2 |
-21.7 |
0.000 |
0 |
0 |
0 |
0.132 |
14 |
|
[ZN]B:503 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
8535 |
27.9 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.132 |
Average: |
37.5 |
-16.9 |
0.000 |
0 |
0 |
0 |
0.132 |
10 |
15 |
|
[ZN]D:503 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
5 |
8584 |
47.1 |
-33.8 |
0.000 |
0 |
0 |
0 |
0.276 |
16 |
|
[ZN]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
8475 |
47.0 |
-34.6 |
0.000 |
0 |
0 |
0 |
0.276 |
17 |
|
[ZN]C:501 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
4 |
4 |
8504 |
46.7 |
-34.5 |
0.000 |
0 |
0 |
0 |
0.276 |
18 |
|
[ZN]B:501 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
8535 |
46.3 |
-34.3 |
0.000 |
0 |
0 |
0 |
0.276 |
Average: |
46.8 |
-34.3 |
0.000 |
0 |
0 |
0 |
0.276 |
11 |
19 |
|
[ZN]D:501 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
8584 |
46.5 |
-21.3 |
0.000 |
0 |
0 |
0 |
0.086 |
20 |
|
[ZN]B:502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
8535 |
43.9 |
-19.9 |
0.000 |
0 |
0 |
0 |
0.086 |
Average: |
45.2 |
-20.6 |
0.000 |
0 |
0 |
0 |
0.086 |
12 |
21 |
|
[ZN]C:503 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
8504 |
45.6 |
-20.6 |
0.000 |
0 |
0 |
0 |
0.083 |
22 |
|
[ZN]B:504 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
8535 |
44.9 |
-19.3 |
0.000 |
0 |
0 |
0 |
0.083 |
Average: |
45.2 |
-20.0 |
0.000 |
0 |
0 |
0 |
0.083 |
13 |
23 |
|
[ZN]C:502 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
8504 |
41.0 |
-19.4 |
0.000 |
0 |
0 |
0 |
0.079 |
14 |
24 |
|
[ZN]C:505 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
4 |
3 |
8504 |
40.3 |
-21.5 |
0.000 |
0 |
0 |
0 |
0.087 |
15 |
25 |
|
[ZN]A:504 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
8475 |
35.6 |
-17.9 |
0.000 |
0 |
0 |
0 |
0.070 |
16 |
26 |
|
[ZN]B:505 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
8535 |
34.4 |
-16.4 |
0.000 |
0 |
0 |
0 |
0.064 |
17 |
27 |
|
A |
8 |
5 |
8475 |
◊ |
[ZN]C:505 |
-y+1,x-y,z |
3_655 |
1 |
1 |
98 |
33.7 |
-16.6 |
0.000 |
0 |
0 |
0 |
0.000 |
18 |
28 |
|
[ZN]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
8475 |
29.8 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.103 |
29 |
|
[ZN]D:502 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
8584 |
28.9 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.103 |
30 |
|
[ZN]A:503 |
1 |
1 |
98 |
f |
B |
-y+1,x-y,z |
3_655 |
4 |
2 |
8535 |
28.2 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.103 |
31 |
|
[ZN]C:504 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
8504 |
26.5 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.103 |
Average: |
28.4 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.103 |
19 |
32 |
|
[ZN]A:504 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
8504 |
25.8 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.021 |
20 |
33 |
|
[ZN]C:504 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
8584 |
24.6 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.087 |
34 |
|
[ZN]A:503 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
8475 |
23.3 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.087 |
35 |
|
[ZN]D:502 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
8504 |
23.0 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.087 |
36 |
|
[ZN]A:502 |
1 |
1 |
98 |
◊ |
B |
-y+1,x-y,z |
3_655 |
2 |
1 |
8535 |
22.9 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.087 |
Average: |
23.4 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.087 |
21 |
37 |
|
A |
4 |
2 |
8475 |
◊ |
[ZN]B:502 |
-y+1,x-y,z |
3_655 |
1 |
1 |
98 |
20.8 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.036 |
38 |
|
[ZN]D:501 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
8504 |
16.1 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.036 |
Average: |
18.5 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.036 |
22 |
39 |
|
A |
4 |
1 |
8475 |
◊ |
[ZN]B:501 |
-y+1,x-y,z |
3_655 |
1 |
1 |
98 |
12.0 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.039 |
40 |
|
[ZN]D:503 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
8504 |
11.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.039 |
41 |
|
[ZN]C:501 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
8584 |
11.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.039 |
42 |
|
[ZN]A:501 |
1 |
1 |
98 |
◊ |
B |
-y+1,x-y,z |
3_655 |
3 |
1 |
8535 |
11.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.039 |
Average: |
11.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.039 |
23 |
43 |
|
[MG]D:504 |
1 |
1 |
98 |
f |
[ZN]D:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.018 |
24 |
44 |
|
B |
1 |
1 |
8535 |
◊ |
A |
-x+1,-y,z-1/2 |
4_654 |
2 |
1 |
8475 |
1.6 |
0.1 |
0.691 |
0 |
0 |
0 |
0.000 |
|