| ## |
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 |
|
C |
217 |
59 |
16605 |
◊ |
B |
x,y,z |
1_555 |
216 |
59 |
16753 |
2074.3 |
-23.2 |
0.056 |
23 |
5 |
0 |
0.197 |
2 |
|
D |
216 |
55 |
16789 |
◊ |
A |
x,y,z |
1_555 |
211 |
57 |
16581 |
2059.7 |
-22.3 |
0.060 |
21 |
3 |
0 |
0.197 |
| Average: |
2067.0 |
-22.7 |
0.058 |
22 |
4 |
0 |
0.197 |
| 2 |
3 |
|
D |
104 |
36 |
16789 |
◊ |
C |
x,y,z |
1_555 |
110 |
36 |
16605 |
929.6 |
-0.3 |
0.753 |
6 |
5 |
0 |
0.026 |
| 3 |
4 |
|
D |
66 |
17 |
16789 |
◊ |
B |
x,y,z-1 |
1_554 |
68 |
17 |
16753 |
571.6 |
-3.9 |
0.394 |
2 |
5 |
0 |
0.000 |
| 4 |
5 |
|
A |
59 |
18 |
16581 |
◊ |
C |
x-1,y,z |
1_455 |
55 |
17 |
16605 |
479.3 |
0.1 |
0.724 |
4 |
3 |
0 |
0.000 |
| 5 |
6 |
|
A |
49 |
12 |
16581 |
◊ |
B |
x-1,y,z |
1_455 |
43 |
17 |
16753 |
396.7 |
-2.0 |
0.336 |
4 |
0 |
0 |
0.000 |
7 |
|
D |
40 |
14 |
16789 |
◊ |
C |
x-1,y,z |
1_455 |
52 |
13 |
16605 |
381.7 |
-1.6 |
0.346 |
4 |
0 |
0 |
0.000 |
| Average: |
389.2 |
-1.8 |
0.341 |
4 |
0 |
0 |
0.000 |
| 6 |
8 |
|
[EDO]A:507 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
16581 |
120.3 |
3.8 |
0.640 |
2 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[EDO]B:508 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
16753 |
117.9 |
3.9 |
0.668 |
5 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[EDO]A:506 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
19 |
11 |
16581 |
109.4 |
3.8 |
0.607 |
4 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[EDO]A:505 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
16581 |
96.4 |
3.0 |
0.516 |
1 |
0 |
0 |
0.000 |
| 10 |
12 |
|
A |
7 |
2 |
16581 |
◊ |
D |
x-1,y,z |
1_455 |
10 |
4 |
16789 |
95.3 |
1.9 |
0.876 |
2 |
5 |
0 |
0.000 |
| 11 |
13 |
|
[SO4]B:506 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
19 |
5 |
16753 |
91.5 |
-11.6 |
0.896 |
1 |
0 |
0 |
0.066 |
| 12 |
14 |
|
[EDO]A:504 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
11 |
6 |
16789 |
82.2 |
2.5 |
0.318 |
2 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[SO4]B:502 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
11 |
8 |
16753 |
82.1 |
-11.2 |
0.924 |
4 |
0 |
0 |
0.071 |
| 14 |
16 |
|
[SO4]A:502 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
16581 |
80.9 |
-10.9 |
0.916 |
4 |
0 |
0 |
0.078 |
| 15 |
17 |
|
[EDO]B:507 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
11 |
6 |
16753 |
78.8 |
2.5 |
0.318 |
2 |
0 |
0 |
0.000 |
| 16 |
18 |
|
[SO4]C:502 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
16789 |
77.2 |
-10.0 |
0.924 |
4 |
0 |
0 |
0.081 |
| 17 |
19 |
|
[EDO]C:504 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
16605 |
76.0 |
2.5 |
0.286 |
1 |
0 |
0 |
0.000 |
| 18 |
20 |
|
[SO4]B:505 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
16753 |
74.5 |
-9.3 |
0.908 |
3 |
0 |
0 |
0.058 |
| 19 |
21 |
|
[SO4]C:503 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
16605 |
70.2 |
-9.4 |
0.880 |
3 |
0 |
0 |
0.074 |
| 20 |
22 |
|
[SO4]B:503 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
16753 |
69.9 |
-9.5 |
0.863 |
3 |
0 |
0 |
0.059 |
| 21 |
23 |
|
[SO4]A:503 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
16581 |
68.0 |
-9.1 |
0.902 |
4 |
0 |
0 |
0.067 |
| 22 |
24 |
|
[SO4]B:504 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
16605 |
67.7 |
-9.1 |
0.901 |
2 |
0 |
0 |
0.069 |
| 23 |
25 |
|
[SO4]D:502 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
9 |
3 |
16789 |
65.9 |
-8.7 |
0.911 |
2 |
0 |
0 |
0.066 |
| 24 |
26 |
|
[SO4]C:502 |
5 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
10 |
7 |
16605 |
63.2 |
-8.9 |
0.877 |
4 |
0 |
0 |
0.074 |
| 25 |
27 |
|
[SO4]B:504 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
16753 |
57.6 |
-6.7 |
0.931 |
2 |
0 |
0 |
0.041 |
| 26 |
28 |
|
[SO4]A:503 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
16789 |
55.6 |
-7.0 |
0.927 |
3 |
0 |
0 |
0.052 |
| 27 |
29 |
|
[SO4]D:503 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
8 |
2 |
16789 |
55.3 |
-6.5 |
0.901 |
2 |
0 |
0 |
0.051 |
| 28 |
30 |
|
[EDO]B:507 |
3 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
16605 |
53.9 |
1.8 |
0.932 |
1 |
0 |
0 |
0.000 |
| 29 |
31 |
|
[EDO]A:504 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
16581 |
53.3 |
1.5 |
0.904 |
2 |
0 |
0 |
0.000 |
| 30 |
32 |
|
[ZN]B:501 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
16753 |
51.7 |
-39.6 |
0.000 |
0 |
0 |
0 |
0.540 |
33 |
|
[ZN]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
8 |
16581 |
51.5 |
-40.3 |
0.000 |
0 |
0 |
0 |
0.540 |
34 |
|
[ZN]D:501 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
7 |
16789 |
51.5 |
-39.5 |
0.000 |
0 |
0 |
0 |
0.540 |
35 |
|
[ZN]C:501 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
6 |
16605 |
51.0 |
-38.8 |
0.000 |
0 |
0 |
0 |
0.540 |
| Average: |
51.4 |
-39.5 |
0.000 |
0 |
0 |
0 |
0.540 |
| 31 |
36 |
|
[SO4]D:503 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
16605 |
44.3 |
-3.5 |
0.981 |
2 |
0 |
0 |
0.031 |
| 32 |
37 |
|
D |
8 |
5 |
16789 |
f |
[EDO]C:504 |
x-1,y,z |
1_455 |
4 |
1 |
184 |
42.8 |
0.3 |
0.659 |
0 |
0 |
0 |
0.000 |
|