## |
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 |
438 |
114 |
23754 |
◊ |
A |
x,y,z |
1_555 |
427 |
112 |
23823 |
4103.9 |
-50.4 |
0.035 |
53 |
15 |
0 |
0.659 |
2 |
2 |
|
B |
59 |
22 |
23754 |
◊ |
A |
x,y,z-1 |
1_554 |
52 |
21 |
23823 |
503.8 |
-5.3 |
0.347 |
5 |
0 |
0 |
0.000 |
3 |
3 |
|
[KAA]B:601 |
31 |
1 |
670 |
f |
B |
x,y,z |
1_555 |
74 |
30 |
23754 |
475.8 |
4.2 |
0.626 |
11 |
0 |
0 |
0.007 |
4 |
|
[KAA]A:601 |
32 |
1 |
674 |
f |
A |
x,y,z |
1_555 |
76 |
30 |
23823 |
473.8 |
4.3 |
0.617 |
10 |
0 |
0 |
0.007 |
Average: |
474.8 |
4.3 |
0.622 |
11 |
0 |
0 |
0.007 |
4 |
5 |
|
A |
45 |
15 |
23823 |
◊ |
A |
-x,-y,z |
2_555 |
46 |
15 |
23823 |
396.6 |
-1.5 |
0.650 |
2 |
0 |
0 |
0.038 |
5 |
6 |
|
B |
45 |
18 |
23754 |
◊ |
B |
-x-1,-y,z |
2_455 |
45 |
18 |
23754 |
388.3 |
0.4 |
0.795 |
4 |
2 |
0 |
0.000 |
6 |
7 |
|
B |
37 |
11 |
23754 |
◊ |
A |
-x,-y,z |
2_555 |
38 |
12 |
23823 |
349.3 |
0.3 |
0.762 |
5 |
4 |
0 |
0.018 |
7 |
8 |
|
A |
28 |
7 |
23823 |
x |
A |
x-1/2,-y+1/2,-z-1 |
4_454 |
18 |
5 |
23823 |
197.1 |
-1.5 |
0.506 |
1 |
0 |
0 |
0.000 |
8 |
9 |
|
A |
12 |
6 |
23823 |
◊ |
A |
-x-1,-y,z |
2_455 |
13 |
6 |
23823 |
131.9 |
-2.2 |
0.243 |
0 |
0 |
0 |
0.000 |
9 |
10 |
|
B |
18 |
5 |
23754 |
◊ |
A |
-x-1/2,y-1/2,-z-1 |
3_444 |
18 |
8 |
23823 |
123.8 |
0.0 |
0.678 |
1 |
2 |
0 |
0.000 |
10 |
11 |
|
B |
13 |
4 |
23754 |
x |
B |
-x-1/2,y-1/2,-z-2 |
3_443 |
10 |
4 |
23754 |
106.4 |
-0.1 |
0.639 |
2 |
2 |
0 |
0.000 |
11 |
12 |
|
[EDO]A:602 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
23823 |
84.2 |
2.0 |
0.276 |
1 |
0 |
0 |
0.000 |
12 |
13 |
|
[SO4]B:605 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
23754 |
82.4 |
-11.7 |
0.740 |
1 |
0 |
0 |
0.105 |
13 |
14 |
|
[EDO]B:603 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
23754 |
75.1 |
1.9 |
0.284 |
3 |
0 |
0 |
0.000 |
14 |
15 |
|
[EDO]B:602 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
23823 |
74.4 |
2.2 |
0.301 |
3 |
0 |
0 |
0.000 |
15 |
16 |
|
[EDO]B:602 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
23754 |
73.0 |
1.8 |
0.295 |
2 |
0 |
0 |
0.000 |
16 |
17 |
|
[EDO]B:603 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
23823 |
72.3 |
2.0 |
0.298 |
2 |
0 |
0 |
0.000 |
17 |
18 |
|
[EDO]B:604 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
23754 |
66.3 |
0.7 |
0.534 |
3 |
0 |
0 |
0.005 |
18 |
19 |
|
[CL]B:607 |
1 |
1 |
125 |
f |
A |
x,y,z-1 |
1_554 |
13 |
6 |
23823 |
62.9 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.267 |
19 |
20 |
|
[SO4]B:606 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
3 |
23754 |
61.3 |
-8.5 |
0.769 |
1 |
0 |
0 |
0.078 |
20 |
21 |
|
[SO4]A:604 |
5 |
1 |
185 |
f |
[SO4]A:604 |
-x,-y,z |
2_555 |
5 |
1 |
185 |
60.8 |
-13.2 |
0.993 |
0 |
0 |
0 |
0.216 |
21 |
22 |
|
A |
8 |
4 |
23823 |
◊ |
B |
x-1/2,-y+1/2,-z-1 |
4_454 |
7 |
5 |
23754 |
60.3 |
0.0 |
0.661 |
0 |
0 |
0 |
0.000 |
22 |
23 |
|
A |
8 |
3 |
23823 |
◊ |
[EDO]A:602 |
x-1/2,-y+1/2,-z-1 |
4_454 |
4 |
1 |
183 |
59.4 |
2.1 |
0.280 |
0 |
0 |
0 |
0.000 |
23 |
24 |
|
[SO4]B:606 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
23823 |
57.9 |
-7.0 |
0.826 |
1 |
0 |
0 |
0.064 |
24 |
25 |
|
[NA]A:603 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
23823 |
52.9 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.211 |
25 |
26 |
|
[CL]B:607 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
23754 |
39.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
27 |
|
[SO4]A:604 |
4 |
1 |
185 |
◊ |
A |
-x,-y,z |
2_555 |
4 |
2 |
23823 |
34.6 |
-2.9 |
0.959 |
3 |
0 |
0 |
0.139 |
27 |
28 |
|
[SO4]A:604 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
23754 |
33.7 |
-3.6 |
0.801 |
1 |
0 |
0 |
0.029 |
28 |
29 |
|
[SO4]A:604 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
23823 |
31.0 |
-2.5 |
0.981 |
3 |
0 |
0 |
0.125 |
29 |
30 |
|
[SO4]A:604 |
4 |
1 |
185 |
◊ |
B |
-x,-y,z |
2_555 |
7 |
2 |
23754 |
29.6 |
-3.6 |
0.751 |
0 |
0 |
0 |
0.025 |
30 |
31 |
|
[EDO]B:604 |
2 |
1 |
184 |
◊ |
[NA]A:603 |
-x-1/2,y-1/2,-z-1 |
3_444 |
1 |
1 |
125 |
24.8 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
31 |
32 |
|
[EDO]B:603 |
3 |
1 |
185 |
f |
[EDO]B:602 |
x,y,z |
1_555 |
3 |
1 |
184 |
19.2 |
0.7 |
1.000 |
1 |
0 |
0 |
0.000 |
32 |
33 |
|
B |
2 |
1 |
23754 |
◊ |
[NA]A:603 |
-x-1/2,y-1/2,-z-1 |
3_444 |
1 |
1 |
125 |
14.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
33 |
34 |
|
[EDO]A:602 |
1 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
23754 |
8.4 |
0.0 |
0.667 |
0 |
0 |
0 |
0.000 |
34 |
35 |
|
[EDO]B:604 |
1 |
1 |
184 |
◊ |
A |
-x-1/2,y-1/2,-z-1 |
3_444 |
1 |
1 |
23823 |
0.5 |
0.0 |
0.820 |
0 |
0 |
0 |
0.000 |
|