## |
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 |
56 |
17 |
7449 |
◊ |
A |
x,y,z |
1_555 |
51 |
15 |
7718 |
562.1 |
-3.2 |
0.514 |
7 |
8 |
0 |
0.000 |
2 |
2 |
|
A |
57 |
18 |
7718 |
◊ |
B |
x,y,z-1 |
1_554 |
64 |
23 |
7449 |
529.5 |
-5.5 |
0.377 |
2 |
0 |
0 |
0.000 |
3 |
3 |
|
B |
44 |
14 |
7449 |
◊ |
B |
-x,y,-z+1 |
2_556 |
45 |
14 |
7449 |
431.5 |
-7.3 |
0.153 |
2 |
0 |
0 |
0.000 |
4 |
4 |
|
A |
43 |
13 |
7718 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
37 |
13 |
7449 |
370.0 |
-8.7 |
0.042 |
0 |
0 |
0 |
0.000 |
5 |
5 |
|
[SF4]B:301 |
8 |
1 |
309 |
f |
B |
x,y,z |
1_555 |
27 |
15 |
7449 |
167.2 |
-17.8 |
0.550 |
3 |
0 |
0 |
0.144 |
6 |
|
[SF4]A:301 |
8 |
1 |
311 |
f |
A |
x,y,z |
1_555 |
26 |
15 |
7718 |
167.0 |
-17.8 |
0.524 |
3 |
0 |
0 |
0.144 |
Average: |
167.1 |
-17.8 |
0.537 |
3 |
0 |
0 |
0.144 |
6 |
7 |
|
[EDO]A:304 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
22 |
11 |
7718 |
104.8 |
3.2 |
0.676 |
2 |
0 |
0 |
0.000 |
7 |
8 |
|
[EDO]B:303 |
4 |
1 |
181 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
7449 |
102.5 |
3.7 |
0.540 |
2 |
0 |
0 |
0.000 |
8 |
9 |
|
A |
9 |
2 |
7718 |
x |
A |
-x+1/2,y-1/2,-z |
4_545 |
12 |
4 |
7718 |
100.7 |
-0.7 |
0.505 |
1 |
0 |
0 |
0.000 |
9 |
10 |
|
[EDO]B:306 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
21 |
11 |
7449 |
98.1 |
3.0 |
0.703 |
2 |
0 |
0 |
0.000 |
10 |
11 |
|
[EDO]B:305 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
7449 |
95.9 |
4.1 |
0.346 |
2 |
0 |
0 |
0.000 |
11 |
12 |
|
[EDO]B:302 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
7449 |
90.8 |
2.6 |
0.512 |
4 |
0 |
0 |
0.000 |
12 |
13 |
|
[EDO]A:302 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
7718 |
90.7 |
2.7 |
0.501 |
4 |
0 |
0 |
0.000 |
13 |
14 |
|
[EDO]A:303 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
13 |
9 |
7718 |
89.2 |
3.0 |
0.487 |
1 |
0 |
0 |
0.000 |
14 |
15 |
|
A |
13 |
3 |
7718 |
◊ |
[EDO]B:304 |
x,y,z-1 |
1_554 |
4 |
1 |
185 |
75.9 |
1.6 |
0.280 |
0 |
0 |
0 |
0.000 |
15 |
16 |
|
[CL]A:307 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
7718 |
72.4 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.026 |
16 |
17 |
|
[CL]A:306 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
7718 |
63.2 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.022 |
17 |
18 |
|
[EDO]A:305 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
7449 |
61.8 |
1.7 |
0.742 |
1 |
0 |
0 |
0.000 |
18 |
19 |
|
B |
9 |
2 |
7449 |
◊ |
[EDO]B:304 |
x,y,z-1 |
1_554 |
4 |
1 |
185 |
59.8 |
1.8 |
0.307 |
0 |
0 |
0 |
0.000 |
19 |
20 |
|
[EDO]A:305 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
7718 |
58.4 |
1.1 |
0.233 |
1 |
0 |
0 |
0.000 |
20 |
21 |
|
B |
8 |
4 |
7449 |
◊ |
B |
-x,y,-z |
2_555 |
9 |
4 |
7449 |
45.6 |
-0.7 |
0.511 |
0 |
0 |
0 |
0.000 |
21 |
22 |
|
[EDO]A:302 |
4 |
1 |
183 |
f |
[SF4]A:301 |
x,y,z |
1_555 |
5 |
1 |
311 |
45.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.008 |
22 |
23 |
|
[EDO]B:302 |
4 |
1 |
184 |
f |
[SF4]B:301 |
x,y,z |
1_555 |
5 |
1 |
309 |
45.1 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.021 |
23 |
24 |
|
[EDO]B:303 |
3 |
1 |
181 |
f |
B |
-x,y,-z+1 |
2_556 |
2 |
1 |
7449 |
36.4 |
0.5 |
0.331 |
0 |
0 |
0 |
0.000 |
24 |
25 |
|
[EDO]B:304 |
3 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
7449 |
34.2 |
1.1 |
0.693 |
0 |
0 |
0 |
0.000 |
25 |
26 |
|
A |
7 |
3 |
7718 |
x |
A |
-x+1/2,y-1/2,-z-1 |
4_544 |
5 |
2 |
7718 |
33.7 |
-0.6 |
0.463 |
0 |
0 |
0 |
0.000 |
26 |
27 |
|
A |
3 |
1 |
7718 |
◊ |
[EDO]A:305 |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
185 |
32.1 |
0.8 |
0.291 |
0 |
0 |
0 |
0.000 |
27 |
28 |
|
B |
4 |
2 |
7449 |
x |
B |
x,y,z-1 |
1_554 |
2 |
1 |
7449 |
25.2 |
0.5 |
0.421 |
0 |
0 |
0 |
0.000 |
28 |
29 |
|
[EDO]A:304 |
2 |
1 |
184 |
f |
[EDO]A:302 |
x,y,z |
1_555 |
3 |
1 |
183 |
22.3 |
1.0 |
1.000 |
0 |
0 |
0 |
0.000 |
29 |
30 |
|
[EDO]B:306 |
2 |
1 |
184 |
f |
[EDO]B:302 |
x,y,z |
1_555 |
3 |
1 |
184 |
20.8 |
1.0 |
1.000 |
0 |
0 |
0 |
0.000 |
30 |
31 |
|
A |
2 |
1 |
7718 |
◊ |
[EDO]B:306 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
184 |
14.5 |
-0.0 |
0.510 |
0 |
0 |
0 |
0.000 |
31 |
32 |
|
[CL]A:307 |
1 |
1 |
125 |
f |
[CL]A:306 |
x,y,z |
1_555 |
1 |
1 |
125 |
9.4 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.006 |
32 |
33 |
|
[EDO]A:304 |
1 |
1 |
184 |
f |
[SF4]A:301 |
x,y,z |
1_555 |
1 |
1 |
311 |
1.7 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
33 |
34 |
|
[EDO]B:306 |
1 |
1 |
184 |
f |
[SF4]B:301 |
x,y,z |
1_555 |
1 |
1 |
309 |
1.1 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
34 |
35 |
|
A |
1 |
1 |
7718 |
x |
A |
x,y,z-1 |
1_554 |
1 |
1 |
7718 |
0.7 |
0.0 |
0.652 |
0 |
0 |
0 |
0.000 |
|