| ## |
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 |
|
D |
104 |
27 |
4594 |
◊ |
C |
x,y,z |
1_555 |
137 |
41 |
9754 |
1125.2 |
-14.7 |
0.134 |
18 |
6 |
0 |
0.488 |
2 |
|
B |
104 |
26 |
4938 |
◊ |
A |
x,y,z |
1_555 |
139 |
41 |
9821 |
1083.5 |
-15.6 |
0.054 |
19 |
4 |
0 |
0.488 |
| Average: |
1104.4 |
-15.1 |
0.094 |
19 |
5 |
0 |
0.488 |
| 2 |
3 |
|
C |
70 |
20 |
9754 |
x |
C |
-x+1,y-1/2,-z |
2_645 |
67 |
19 |
9754 |
643.7 |
-7.6 |
0.345 |
9 |
0 |
0 |
0.000 |
4 |
|
A |
67 |
18 |
9821 |
x |
A |
-x+2,y-1/2,-z+1 |
2_746 |
62 |
18 |
9821 |
612.8 |
-6.1 |
0.328 |
6 |
0 |
0 |
0.000 |
| Average: |
628.3 |
-6.8 |
0.336 |
8 |
0 |
0 |
0.000 |
| 3 |
5 |
|
C |
26 |
8 |
9754 |
◊ |
A |
x,y,z-1 |
1_554 |
28 |
10 |
9821 |
261.7 |
-3.7 |
0.275 |
2 |
0 |
0 |
0.000 |
| 4 |
6 |
|
C |
22 |
7 |
9754 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
21 |
8 |
4938 |
209.0 |
-1.3 |
0.485 |
1 |
0 |
0 |
0.000 |
| 5 |
7 |
|
B |
19 |
6 |
4938 |
◊ |
C |
x,y,z |
1_555 |
20 |
4 |
9754 |
154.3 |
0.2 |
0.672 |
4 |
0 |
0 |
0.000 |
| 6 |
8 |
|
A |
19 |
5 |
9821 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
18 |
5 |
4938 |
144.6 |
1.2 |
0.678 |
2 |
2 |
0 |
0.000 |
| 7 |
9 |
|
[EDO]C:504 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
21 |
9 |
9754 |
113.1 |
3.3 |
0.503 |
1 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[EDO]A:505 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
9821 |
104.4 |
3.1 |
0.506 |
0 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[EDO]A:506 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
9821 |
103.0 |
4.2 |
0.537 |
3 |
0 |
0 |
0.000 |
| 10 |
12 |
|
[EDO]A:503 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
9821 |
102.1 |
2.6 |
0.467 |
3 |
0 |
0 |
0.000 |
| 11 |
13 |
|
[EDO]C:507 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
19 |
7 |
9754 |
99.9 |
2.4 |
0.490 |
2 |
0 |
0 |
0.000 |
| 12 |
14 |
|
[EDO]D:102 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
13 |
5 |
4594 |
94.1 |
3.0 |
0.472 |
2 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[EDO]A:507 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
9821 |
86.7 |
1.8 |
0.225 |
1 |
0 |
0 |
0.000 |
| 14 |
16 |
|
[EDO]B:101 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
4938 |
85.3 |
1.7 |
0.346 |
3 |
0 |
0 |
0.000 |
| 15 |
17 |
|
[EDO]D:101 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
16 |
6 |
4594 |
85.2 |
1.7 |
0.384 |
3 |
0 |
0 |
0.000 |
| 16 |
18 |
|
[EDO]B:102 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
4938 |
83.9 |
1.7 |
0.189 |
2 |
0 |
0 |
0.000 |
| 17 |
19 |
|
[EDO]C:505 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
18 |
7 |
9754 |
82.5 |
2.0 |
0.474 |
1 |
0 |
0 |
0.000 |
| 18 |
20 |
|
C |
14 |
3 |
9754 |
◊ |
D |
-x+2,y-1/2,-z |
2_745 |
11 |
3 |
4594 |
77.3 |
0.1 |
0.632 |
0 |
0 |
0 |
0.000 |
| 19 |
21 |
|
[EDO]C:506 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
16 |
7 |
9754 |
74.6 |
2.3 |
0.495 |
2 |
0 |
0 |
0.000 |
| 20 |
22 |
|
[EDO]A:504 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
9821 |
73.4 |
2.2 |
0.477 |
3 |
0 |
0 |
0.000 |
| 21 |
23 |
|
[PO4]C:503 |
5 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
9754 |
72.4 |
-3.8 |
0.881 |
3 |
0 |
0 |
0.091 |
| 22 |
24 |
|
[EDO]A:504 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
4938 |
60.4 |
0.7 |
0.584 |
1 |
0 |
0 |
0.000 |
| 23 |
25 |
|
[EDO]C:506 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
4594 |
59.1 |
0.7 |
0.621 |
1 |
0 |
0 |
0.000 |
| 24 |
26 |
|
[EDO]D:102 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
9754 |
54.0 |
0.6 |
0.643 |
1 |
0 |
0 |
0.000 |
| 25 |
27 |
|
[EDO]C:505 |
4 |
1 |
185 |
◊ |
A |
x,y,z-1 |
1_554 |
11 |
5 |
9821 |
48.6 |
1.2 |
0.781 |
1 |
0 |
0 |
0.000 |
| 26 |
28 |
|
D |
5 |
2 |
4594 |
◊ |
A |
x,y,z-1 |
1_554 |
6 |
3 |
9821 |
46.4 |
1.3 |
0.866 |
1 |
1 |
0 |
0.000 |
| 27 |
29 |
|
[EDO]B:101 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
9821 |
45.0 |
0.9 |
0.232 |
0 |
0 |
0 |
0.000 |
| 28 |
30 |
|
[EDO]D:101 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
9754 |
44.4 |
0.9 |
0.220 |
0 |
0 |
0 |
0.000 |
| 29 |
31 |
|
[EDO]C:505 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
8 |
2 |
4594 |
38.0 |
0.9 |
0.891 |
2 |
0 |
0 |
0.000 |
| 30 |
32 |
|
[EDO]B:102 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
9821 |
38.0 |
0.7 |
0.604 |
0 |
0 |
0 |
0.000 |
| 31 |
33 |
|
[ZN]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
9821 |
34.7 |
-26.5 |
0.000 |
0 |
0 |
0 |
0.526 |
34 |
|
[ZN]C:502 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
9754 |
34.7 |
-25.8 |
0.000 |
0 |
0 |
0 |
0.526 |
| Average: |
34.7 |
-26.2 |
0.000 |
0 |
0 |
0 |
0.526 |
| 32 |
35 |
|
[PO4]C:503 |
3 |
1 |
189 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
4938 |
29.8 |
-1.1 |
0.894 |
1 |
0 |
0 |
0.000 |
| 33 |
36 |
|
[EDO]A:503 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
4938 |
28.5 |
0.8 |
0.818 |
1 |
0 |
0 |
0.000 |
| 34 |
37 |
|
[EDO]C:507 |
3 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
4594 |
26.4 |
0.7 |
0.827 |
1 |
0 |
0 |
0.000 |
| 35 |
38 |
|
[EDO]D:101 |
2 |
1 |
185 |
f |
[EDO]C:506 |
x,y,z |
1_555 |
4 |
1 |
186 |
25.3 |
0.8 |
1.000 |
2 |
0 |
0 |
0.002 |
| 36 |
39 |
|
[ZN]C:502 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
4594 |
24.6 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.221 |
40 |
|
[ZN]A:502 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
4938 |
24.5 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.221 |
| Average: |
24.6 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.221 |
| 37 |
41 |
|
[EDO]B:101 |
2 |
1 |
184 |
f |
[EDO]A:504 |
x,y,z |
1_555 |
4 |
1 |
184 |
24.5 |
0.8 |
1.000 |
2 |
0 |
0 |
0.001 |
| 38 |
42 |
|
[EDO]C:507 |
3 |
1 |
184 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
4938 |
19.7 |
0.8 |
0.854 |
0 |
0 |
0 |
0.000 |
| 39 |
43 |
|
[EDO]A:507 |
2 |
1 |
183 |
f |
[EDO]A:506 |
x,y,z |
1_555 |
3 |
1 |
184 |
18.5 |
0.9 |
1.000 |
0 |
0 |
0 |
0.000 |
| 40 |
44 |
|
[PO4]C:503 |
3 |
1 |
189 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
2 |
2 |
9754 |
18.1 |
-0.1 |
0.968 |
0 |
0 |
0 |
0.000 |
| 41 |
45 |
|
C |
1 |
1 |
9754 |
◊ |
[EDO]A:503 |
x,y,z-1 |
1_554 |
2 |
1 |
185 |
13.6 |
0.0 |
0.433 |
0 |
0 |
0 |
0.000 |
| 42 |
46 |
|
D |
1 |
1 |
4594 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
9821 |
7.7 |
-0.2 |
0.405 |
0 |
0 |
0 |
0.000 |
| 43 |
47 |
|
[EDO]C:507 |
1 |
1 |
184 |
◊ |
A |
x,y,z-1 |
1_554 |
2 |
2 |
9821 |
6.9 |
-0.0 |
0.696 |
0 |
0 |
0 |
0.000 |
| 44 |
48 |
|
[EDO]A:503 |
1 |
1 |
185 |
f |
[ZN]A:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.9 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.034 |
| 45 |
49 |
|
[EDO]C:507 |
1 |
1 |
184 |
f |
[ZN]C:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.8 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.029 |
|