| ## |
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 |
137 |
30 |
8482 |
◊ |
A |
x,x-y+1,-z+1/6 |
12_565 |
132 |
30 |
8482 |
1385.2 |
-17.6 |
0.073 |
18 |
14 |
0 |
0.082 |
2 |
|
B |
136 |
32 |
8581 |
◊ |
B |
-x+y-1,y,-z+1/2 |
11_455 |
133 |
31 |
8581 |
1372.5 |
-20.8 |
0.049 |
20 |
8 |
0 |
0.082 |
| Average: |
1378.8 |
-19.2 |
0.061 |
19 |
11 |
0 |
0.082 |
| 2 |
3 |
|
B |
67 |
19 |
8581 |
◊ |
A |
y-1,x,-z+1/3 |
7_455 |
70 |
20 |
8482 |
618.1 |
-4.7 |
0.425 |
8 |
3 |
0 |
0.021 |
| 3 |
4 |
|
B |
47 |
14 |
8581 |
◊ |
A |
x-y,x,z+1/6 |
6_555 |
48 |
16 |
8482 |
457.8 |
-0.8 |
0.654 |
11 |
0 |
0 |
0.014 |
| 4 |
5 |
|
B |
41 |
13 |
8581 |
◊ |
A |
x,y,z |
1_555 |
41 |
11 |
8482 |
355.9 |
-1.6 |
0.570 |
5 |
3 |
0 |
0.011 |
| 5 |
6 |
|
B |
18 |
4 |
8581 |
◊ |
A |
-y,x-y+1,z+1/3 |
2_565 |
15 |
3 |
8482 |
127.8 |
-0.7 |
0.555 |
1 |
0 |
0 |
0.000 |
| 6 |
7 |
|
B |
14 |
3 |
8581 |
◊ |
A |
-x+y-1,y,-z+1/2 |
11_455 |
12 |
6 |
8482 |
124.7 |
0.7 |
0.556 |
1 |
2 |
0 |
0.000 |
| 7 |
8 |
|
B |
10 |
4 |
8581 |
◊ |
B |
x,x-y,-z+1/6 |
12_555 |
10 |
4 |
8581 |
81.2 |
0.4 |
0.714 |
0 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[MN]A:202 |
1 |
1 |
123 |
cf |
A |
x,y,z |
1_555 |
18 |
8 |
8482 |
72.9 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.035 |
| 9 |
10 |
|
[MN]A:205 |
1 |
1 |
123 |
x |
A |
x,y,z |
1_555 |
13 |
4 |
8482 |
64.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.049 |
| 10 |
11 |
|
[ZN]A:212 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
8482 |
63.6 |
-35.2 |
0.000 |
0 |
0 |
0 |
0.218 |
| 11 |
12 |
|
[MN]B:203 |
1 |
1 |
123 |
x |
B |
x,y,z |
1_555 |
8 |
3 |
8581 |
59.6 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.015 |
| 12 |
13 |
|
[MN]A:207 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
8482 |
59.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.051 |
14 |
|
[MN]A:208 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
8482 |
59.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.051 |
| Average: |
59.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.051 |
| 13 |
15 |
|
[ZN]B:209 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
8581 |
57.1 |
-35.5 |
0.000 |
0 |
0 |
0 |
0.158 |
| 14 |
16 |
|
[ZN]B:210 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
8581 |
52.0 |
-29.0 |
0.000 |
0 |
0 |
0 |
0.356 |
17 |
|
[ZN]A:211 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
8482 |
48.6 |
-26.2 |
0.000 |
0 |
0 |
0 |
0.356 |
18 |
|
[ZN]B:211 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
8581 |
45.7 |
-31.1 |
0.000 |
0 |
0 |
0 |
0.356 |
19 |
|
[ZN]A:210 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
8482 |
44.2 |
-31.2 |
0.000 |
0 |
0 |
0 |
0.356 |
| Average: |
47.6 |
-29.4 |
0.000 |
0 |
0 |
0 |
0.356 |
| 15 |
20 |
|
B |
4 |
2 |
8581 |
◊ |
A |
x,x-y+1,-z+1/6 |
12_565 |
9 |
3 |
8482 |
51.5 |
1.3 |
0.861 |
0 |
0 |
0 |
0.000 |
| 16 |
21 |
|
[MN]A:203 |
1 |
1 |
123 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
8482 |
49.3 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.029 |
22 |
|
[MN]B:201 |
1 |
1 |
123 |
◊ |
B |
x,y,z |
1_555 |
11 |
6 |
8581 |
43.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.029 |
23 |
|
[MN]A:204 |
1 |
1 |
123 |
c |
A |
x,y,z |
1_555 |
10 |
5 |
8482 |
41.6 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.029 |
24 |
|
B |
10 |
5 |
8581 |
◊ |
[MN]A:206 |
y-1,x,-z+1/3 |
7_455 |
1 |
1 |
123 |
33.6 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.029 |
| Average: |
41.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.029 |
| 17 |
25 |
|
[ZN]B:207 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
8581 |
48.2 |
-26.9 |
0.000 |
0 |
0 |
0 |
0.244 |
26 |
|
[ZN]B:206 |
1 |
1 |
98 |
cf |
B |
x,y,z |
1_555 |
11 |
6 |
8581 |
43.6 |
-27.7 |
0.000 |
0 |
0 |
0 |
0.244 |
| Average: |
45.9 |
-27.3 |
0.000 |
0 |
0 |
0 |
0.244 |
| 18 |
27 |
|
[ZN]A:209 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
8482 |
45.2 |
-22.3 |
0.000 |
0 |
0 |
0 |
0.138 |
| 19 |
28 |
|
[ZN]B:208 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
8581 |
44.2 |
-25.9 |
0.000 |
0 |
0 |
0 |
0.116 |
| 20 |
29 |
|
B |
7 |
3 |
8581 |
c |
[MN]A:204 |
y-1,x,-z+1/3 |
7_455 |
1 |
1 |
123 |
42.8 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.027 |
30 |
|
[MN]B:202 |
1 |
1 |
123 |
◊ |
A |
y-1,x,-z+1/3 |
7_455 |
8 |
3 |
8482 |
36.4 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.027 |
31 |
|
[MN]A:206 |
1 |
1 |
123 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
8482 |
35.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.027 |
| Average: |
38.3 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.027 |
| 21 |
32 |
|
[MN]A:205 |
1 |
1 |
123 |
f |
[MN]A:205 |
x,x-y+1,-z+1/6 |
12_565 |
1 |
1 |
123 |
42.3 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.100 |
| 22 |
33 |
|
[MN]A:208 |
1 |
1 |
123 |
f |
[MN]A:207 |
x,y,z |
1_555 |
1 |
1 |
123 |
41.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.026 |
| 23 |
34 |
|
[ZN]B:204 |
1 |
1 |
98 |
x |
B |
x,y,z |
1_555 |
6 |
2 |
8581 |
38.6 |
-18.9 |
0.000 |
0 |
0 |
0 |
0.127 |
| 24 |
35 |
|
B |
7 |
3 |
8581 |
◊ |
[MN]A:203 |
y-1,x,-z+1/3 |
7_455 |
1 |
1 |
123 |
37.3 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.012 |
36 |
|
[MN]B:201 |
1 |
1 |
123 |
◊ |
A |
y-1,x,-z+1/3 |
7_455 |
8 |
3 |
8482 |
33.3 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.012 |
| Average: |
35.3 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.012 |
| 25 |
37 |
|
[MN]B:202 |
1 |
1 |
123 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
8581 |
29.9 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.006 |
| 26 |
38 |
|
[ZN]B:207 |
1 |
1 |
98 |
f |
[ZN]B:206 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.4 |
-23.5 |
0.000 |
0 |
0 |
0 |
0.105 |
| 27 |
39 |
|
[MN]B:202 |
1 |
1 |
123 |
f |
[MN]A:206 |
y-1,x,-z+1/3 |
7_455 |
1 |
1 |
123 |
27.9 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.041 |
| 28 |
40 |
|
[ZN]B:204 |
1 |
1 |
98 |
f |
[ZN]B:204 |
-x+y-1,y,-z+1/2 |
11_455 |
1 |
1 |
98 |
25.7 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.047 |
| 29 |
41 |
|
[ZN]B:204 |
1 |
1 |
98 |
fx |
[MN]B:203 |
x,y,z |
1_555 |
1 |
1 |
123 |
25.6 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.053 |
| 30 |
42 |
|
[MN]A:204 |
1 |
1 |
123 |
f |
[MN]A:203 |
x,y,z |
1_555 |
1 |
1 |
123 |
24.9 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.100 |
| 31 |
43 |
|
[ZN]A:209 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
8581 |
24.1 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.025 |
| 32 |
44 |
|
[ZN]B:211 |
1 |
1 |
98 |
f |
[ZN]B:210 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.8 |
-17.4 |
0.000 |
0 |
0 |
0 |
0.078 |
| 33 |
45 |
|
[ZN]A:211 |
1 |
1 |
98 |
f |
[ZN]A:210 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.5 |
-17.2 |
0.000 |
0 |
0 |
0 |
0.106 |
| 34 |
46 |
|
[MN]B:202 |
1 |
1 |
123 |
f |
[MN]B:201 |
x,y,z |
1_555 |
1 |
1 |
123 |
20.2 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.030 |
| 35 |
47 |
|
[MN]B:201 |
1 |
1 |
123 |
f |
[MN]A:206 |
y-1,x,-z+1/3 |
7_455 |
1 |
1 |
123 |
20.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.029 |
| 36 |
48 |
|
[ZN]B:208 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
8482 |
18.9 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.017 |
| 37 |
49 |
|
[ZN]B:208 |
1 |
1 |
98 |
◊ |
[ZN]A:209 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.9 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.029 |
| 38 |
50 |
|
[ZN]A:212 |
1 |
1 |
98 |
f |
[MN]A:201 |
x,y,z |
1_555 |
1 |
1 |
123 |
9.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.025 |
| 39 |
51 |
|
B |
1 |
1 |
8581 |
◊ |
[ZN]A:211 |
x-y,x,z+1/6 |
6_555 |
1 |
1 |
98 |
6.2 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.007 |
52 |
|
[ZN]B:210 |
1 |
1 |
98 |
◊ |
A |
x-y,x,z+1/6 |
6_555 |
1 |
1 |
8482 |
2.0 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.007 |
| Average: |
4.1 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.007 |
|