| ## |
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 |
97 |
23 |
6262 |
◊ |
A |
x,y,z |
1_555 |
106 |
27 |
11997 |
944.7 |
-4.8 |
0.416 |
13 |
6 |
0 |
0.262 |
2 |
|
D |
90 |
23 |
6485 |
◊ |
C |
x,y,z |
1_555 |
102 |
27 |
12075 |
914.1 |
-6.0 |
0.310 |
12 |
7 |
0 |
0.262 |
| Average: |
929.4 |
-5.4 |
0.363 |
13 |
7 |
0 |
0.262 |
| 2 |
3 |
|
A |
50 |
13 |
11997 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
54 |
18 |
12075 |
500.0 |
-0.9 |
0.533 |
8 |
2 |
0 |
0.064 |
| 3 |
4 |
|
C |
35 |
12 |
12075 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
32 |
10 |
6485 |
339.8 |
1.6 |
0.808 |
4 |
4 |
0 |
0.000 |
| 4 |
5 |
|
C |
32 |
9 |
12075 |
x |
C |
-x,y-1/2,-z+1 |
2_546 |
38 |
10 |
12075 |
299.8 |
-1.8 |
0.399 |
3 |
5 |
0 |
0.000 |
6 |
|
A |
37 |
10 |
11997 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
32 |
9 |
11997 |
299.3 |
-2.1 |
0.329 |
3 |
3 |
0 |
0.000 |
| Average: |
299.6 |
-1.9 |
0.364 |
3 |
4 |
0 |
0.000 |
| 5 |
7 |
|
B |
29 |
11 |
6262 |
◊ |
D |
x,y-1,z |
1_545 |
34 |
10 |
6485 |
298.5 |
0.2 |
0.745 |
8 |
0 |
0 |
0.000 |
| 6 |
8 |
|
B |
35 |
9 |
6262 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
28 |
8 |
11997 |
239.5 |
0.3 |
0.701 |
2 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[EDO]C:305 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
19 |
8 |
12075 |
123.1 |
4.0 |
0.474 |
3 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[EDO]C:304 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
22 |
9 |
12075 |
113.2 |
2.4 |
0.408 |
0 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[EDO]A:304 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
20 |
9 |
11997 |
110.3 |
2.4 |
0.396 |
1 |
0 |
0 |
0.000 |
| 10 |
12 |
|
[IMD]A:303 |
5 |
1 |
199 |
f |
A |
-x+1,y-1/2,-z |
2_645 |
14 |
7 |
11997 |
104.0 |
3.5 |
0.293 |
1 |
0 |
0 |
0.000 |
| 11 |
13 |
|
[IMD]C:303 |
5 |
1 |
197 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
12075 |
91.5 |
3.4 |
0.299 |
0 |
0 |
0 |
0.000 |
| 12 |
14 |
|
[CL]A:302 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
11997 |
73.1 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.140 |
| 13 |
15 |
|
A |
7 |
3 |
11997 |
x |
A |
-x,y-1/2,-z |
2_545 |
5 |
1 |
11997 |
55.3 |
0.4 |
0.589 |
0 |
0 |
0 |
0.000 |
| 14 |
16 |
|
C |
5 |
3 |
12075 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
11997 |
50.5 |
0.5 |
0.735 |
1 |
0 |
0 |
0.000 |
| 15 |
17 |
|
[IMD]C:303 |
3 |
1 |
197 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
5 |
3 |
12075 |
46.7 |
1.2 |
0.205 |
0 |
0 |
0 |
0.000 |
| 16 |
18 |
|
[IMD]A:303 |
3 |
1 |
199 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
11997 |
45.6 |
1.2 |
0.199 |
1 |
0 |
0 |
0.000 |
| 17 |
19 |
|
[EDO]C:304 |
3 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
6485 |
43.8 |
1.2 |
0.729 |
0 |
0 |
0 |
0.000 |
| 18 |
20 |
|
[ZN]C:302 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
12075 |
40.9 |
-19.9 |
0.000 |
0 |
0 |
0 |
0.271 |
| 19 |
21 |
|
[ZN]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
11997 |
33.3 |
-16.8 |
0.000 |
0 |
0 |
0 |
0.459 |
22 |
|
[ZN]C:301 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
12075 |
33.1 |
-16.9 |
0.000 |
0 |
0 |
0 |
0.459 |
| Average: |
33.2 |
-16.8 |
0.000 |
0 |
0 |
0 |
0.459 |
| 20 |
23 |
|
A |
5 |
2 |
11997 |
◊ |
[ZN]C:302 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
98 |
32.4 |
-13.9 |
0.000 |
0 |
0 |
0 |
0.189 |
| 21 |
24 |
|
[EDO]A:304 |
3 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
6262 |
30.7 |
0.6 |
0.649 |
0 |
0 |
0 |
0.000 |
| 22 |
25 |
|
[ZN]A:301 |
1 |
1 |
98 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
5 |
2 |
11997 |
29.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
|
C |
5 |
2 |
12075 |
◊ |
[ZN]C:301 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
98 |
29.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
29.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 23 |
27 |
|
[IMD]C:303 |
2 |
1 |
197 |
◊ |
[ZN]C:301 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
98 |
26.5 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
|
[IMD]A:303 |
3 |
1 |
199 |
◊ |
[ZN]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.5 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
26.0 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|