## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
C |
121 |
32 |
18554 |
◊ |
B |
x,y-1,z |
1_545 |
109 |
36 |
18284 |
1152.0 |
-8.1 |
0.167 |
2 |
10 |
0 |
0.000 |
2 |
|
A |
81 |
25 |
18968 |
◊ |
C |
x-1,y,z |
1_455 |
83 |
28 |
18554 |
718.8 |
-0.2 |
0.574 |
4 |
0 |
0 |
0.000 |
3 |
|
B |
71 |
23 |
18284 |
◊ |
D |
x,y,z |
1_555 |
73 |
22 |
18405 |
636.5 |
2.7 |
0.733 |
7 |
5 |
0 |
0.000 |
4 |
|
A |
56 |
16 |
18968 |
◊ |
C |
x-1,y,z-1 |
1_454 |
58 |
16 |
18554 |
548.9 |
-1.8 |
0.454 |
4 |
3 |
0 |
0.000 |
5 |
|
B |
53 |
16 |
18284 |
◊ |
D |
x-1,y,z |
1_455 |
44 |
17 |
18405 |
429.9 |
0.0 |
0.547 |
0 |
2 |
0 |
0.000 |
6 |
|
B |
44 |
11 |
18284 |
◊ |
D |
x-1,y,z-1 |
1_454 |
48 |
13 |
18405 |
429.8 |
-3.8 |
0.246 |
0 |
0 |
0 |
0.000 |
7 |
|
C |
43 |
11 |
18554 |
◊ |
B |
x,y,z |
1_555 |
36 |
11 |
18284 |
379.0 |
0.2 |
0.593 |
0 |
3 |
0 |
0.000 |
8 |
|
C |
41 |
17 |
18554 |
◊ |
D |
x,y,z |
1_555 |
36 |
15 |
18405 |
295.9 |
0.7 |
0.620 |
0 |
2 |
0 |
0.000 |
9 |
|
B |
24 |
11 |
18284 |
◊ |
A |
x,y,z |
1_555 |
28 |
9 |
18968 |
202.8 |
2.6 |
0.815 |
0 |
1 |
0 |
0.000 |
10 |
|
A |
27 |
9 |
18968 |
◊ |
D |
x-1,y,z-1 |
1_454 |
19 |
7 |
18405 |
169.3 |
3.7 |
0.887 |
0 |
5 |
0 |
0.000 |
11 |
|
C |
16 |
7 |
18554 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
18968 |
153.1 |
0.5 |
0.654 |
0 |
0 |
0 |
0.000 |
12 |
|
C |
18 |
9 |
18554 |
◊ |
D |
x,y-1,z |
1_545 |
19 |
3 |
18405 |
139.0 |
-0.4 |
0.455 |
0 |
1 |
0 |
0.000 |
13 |
|
[EDO]C:402 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
22 |
9 |
18554 |
109.5 |
2.0 |
0.330 |
0 |
0 |
0 |
0.000 |
14 |
|
C |
15 |
5 |
18554 |
x |
C |
x-1,y,z |
1_455 |
10 |
4 |
18554 |
109.4 |
1.5 |
0.792 |
0 |
1 |
0 |
0.000 |
15 |
|
A |
6 |
3 |
18968 |
◊ |
B |
x,y-1,z |
1_545 |
12 |
5 |
18284 |
107.8 |
0.3 |
0.603 |
0 |
1 |
0 |
0.000 |
16 |
|
[EDO]C:403 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
22 |
7 |
18554 |
106.8 |
2.8 |
0.448 |
0 |
0 |
0 |
0.000 |
17 |
|
[EDO]B:403 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
18284 |
106.1 |
2.7 |
0.400 |
0 |
0 |
0 |
0.000 |
18 |
|
A |
8 |
4 |
18968 |
◊ |
D |
x-1,y-1,z-1 |
1_444 |
9 |
3 |
18405 |
100.2 |
1.9 |
0.853 |
0 |
1 |
0 |
0.000 |
19 |
|
[EDO]D:405 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
21 |
5 |
18405 |
93.1 |
2.0 |
0.238 |
0 |
0 |
0 |
0.000 |
20 |
|
D |
14 |
7 |
18405 |
x |
D |
x-1,y,z |
1_455 |
16 |
5 |
18405 |
92.6 |
-1.0 |
0.380 |
0 |
0 |
0 |
0.000 |
21 |
|
[SO4]A:401 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
20 |
5 |
18968 |
92.3 |
-12.3 |
0.674 |
0 |
0 |
0 |
0.036 |
22 |
|
[SO4]B:401 |
5 |
1 |
186 |
cf |
B |
x,y,z |
1_555 |
16 |
6 |
18284 |
92.3 |
-14.7 |
0.615 |
0 |
0 |
0 |
0.063 |
23 |
|
[EDO]A:405 |
4 |
1 |
185 |
◊ |
C |
x-1,y,z |
1_455 |
17 |
7 |
18554 |
91.7 |
2.8 |
0.471 |
0 |
0 |
0 |
0.000 |
24 |
|
B |
9 |
3 |
18284 |
◊ |
C |
x-1,y,z |
1_455 |
10 |
3 |
18554 |
89.9 |
0.7 |
0.689 |
0 |
0 |
0 |
0.000 |
25 |
|
[SO4]A:403 |
5 |
1 |
185 |
cf |
A |
x,y,z |
1_555 |
15 |
5 |
18968 |
86.7 |
-13.4 |
0.624 |
1 |
0 |
0 |
0.041 |
26 |
|
A |
9 |
3 |
18968 |
◊ |
D |
x-1,y-1,z |
1_445 |
12 |
5 |
18405 |
83.5 |
0.2 |
0.626 |
0 |
0 |
0 |
0.000 |
27 |
|
A |
7 |
2 |
18968 |
x |
A |
x-1,y,z |
1_455 |
11 |
5 |
18968 |
82.4 |
0.6 |
0.705 |
0 |
0 |
0 |
0.000 |
28 |
|
[SO4]D:403 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
15 |
5 |
18405 |
80.9 |
-11.1 |
0.734 |
2 |
0 |
0 |
0.035 |
29 |
|
[SO4]C:401 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
18554 |
74.5 |
-10.9 |
0.703 |
1 |
0 |
0 |
0.121 |
30 |
|
[SO4]D:401 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
18405 |
74.2 |
-10.4 |
0.705 |
1 |
0 |
0 |
0.032 |
31 |
|
[SO4]D:402 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
18405 |
74.1 |
-11.1 |
0.608 |
1 |
0 |
0 |
0.034 |
32 |
|
[SO4]B:402 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
18284 |
74.0 |
-10.0 |
0.708 |
2 |
0 |
0 |
0.047 |
33 |
|
[SO4]A:402 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
18968 |
73.7 |
-9.7 |
0.825 |
1 |
0 |
0 |
0.030 |
34 |
|
[EDO]D:404 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
9 |
5 |
18405 |
71.6 |
2.5 |
0.882 |
0 |
0 |
0 |
0.000 |
35 |
|
[EDO]A:404 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
18968 |
64.2 |
2.1 |
0.278 |
0 |
0 |
0 |
0.000 |
36 |
|
[EDO]D:405 |
3 |
1 |
184 |
f |
[EDO]D:404 |
x,y,z |
1_555 |
2 |
1 |
185 |
38.3 |
1.3 |
1.000 |
0 |
0 |
0 |
0.000 |
37 |
|
[EDO]D:405 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
18284 |
32.4 |
0.8 |
0.714 |
0 |
0 |
0 |
0.000 |
38 |
|
[SO4]D:403 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
18284 |
29.4 |
-2.8 |
0.922 |
1 |
0 |
0 |
0.000 |
39 |
|
[SO4]A:401 |
3 |
1 |
184 |
◊ |
C |
x-1,y,z |
1_455 |
3 |
2 |
18554 |
29.1 |
-3.8 |
0.754 |
0 |
0 |
0 |
0.000 |
40 |
|
[EDO]B:403 |
3 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
18405 |
25.8 |
0.4 |
0.758 |
0 |
0 |
0 |
0.000 |
41 |
|
[EDO]A:405 |
2 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
18968 |
25.2 |
0.7 |
0.940 |
0 |
0 |
0 |
0.000 |
42 |
|
[SO4]D:401 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
18554 |
20.1 |
-1.4 |
0.984 |
0 |
0 |
0 |
0.000 |
43 |
|
A |
3 |
2 |
18968 |
f |
[EDO]C:403 |
x-1,y,z |
1_455 |
2 |
1 |
184 |
18.7 |
0.2 |
0.720 |
0 |
0 |
0 |
0.000 |
44 |
|
[SO4]C:401 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
18405 |
18.5 |
-1.2 |
0.944 |
0 |
0 |
0 |
0.000 |
45 |
|
[SO4]D:403 |
3 |
1 |
185 |
◊ |
[SO4]B:401 |
x,y,z |
1_555 |
1 |
1 |
186 |
8.5 |
-1.9 |
0.891 |
0 |
0 |
0 |
0.000 |
46 |
|
[EDO]A:404 |
2 |
1 |
184 |
f |
[SO4]A:403 |
x,y,z |
1_555 |
1 |
1 |
185 |
4.9 |
-0.5 |
0.894 |
0 |
0 |
0 |
0.002 |
47 |
|
[EDO]D:404 |
1 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
2 |
2 |
18284 |
4.4 |
0.1 |
0.749 |
0 |
0 |
0 |
0.000 |
48 |
|
[EDO]A:405 |
1 |
1 |
185 |
f |
[SO4]A:403 |
x,y,z |
1_555 |
1 |
1 |
185 |
1.1 |
-0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
49 |
|
[SO4]D:402 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
18284 |
0.4 |
-0.0 |
0.843 |
0 |
0 |
0 |
0.000 |
|