| ## |
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 |
323 |
94 |
26771 |
◊ |
B |
x,y,z |
1_555 |
325 |
95 |
26680 |
3243.0 |
-15.5 |
0.118 |
58 |
26 |
0 |
0.409 |
2 |
|
D |
328 |
93 |
26603 |
◊ |
A |
x,y,z |
1_555 |
327 |
94 |
26778 |
3222.2 |
-14.0 |
0.158 |
55 |
26 |
0 |
0.409 |
| Average: |
3232.6 |
-14.7 |
0.138 |
57 |
26 |
0 |
0.409 |
| 2 |
3 |
|
D |
194 |
50 |
26603 |
◊ |
C |
x,y,z |
1_555 |
189 |
51 |
26771 |
1851.1 |
-12.7 |
0.085 |
25 |
15 |
0 |
0.287 |
4 |
|
B |
188 |
49 |
26680 |
◊ |
A |
x,y,z |
1_555 |
192 |
48 |
26778 |
1833.1 |
-10.2 |
0.157 |
23 |
20 |
0 |
0.287 |
| Average: |
1842.1 |
-11.5 |
0.121 |
24 |
18 |
0 |
0.287 |
| 3 |
5 |
|
C |
86 |
26 |
26771 |
◊ |
A |
x,y,z |
1_555 |
85 |
25 |
26778 |
767.3 |
-1.8 |
0.435 |
13 |
9 |
0 |
0.106 |
6 |
|
D |
82 |
25 |
26603 |
◊ |
B |
x,y,z |
1_555 |
84 |
25 |
26680 |
767.1 |
-1.8 |
0.430 |
14 |
11 |
0 |
0.106 |
| Average: |
767.2 |
-1.8 |
0.432 |
14 |
10 |
0 |
0.106 |
| 4 |
7 |
|
A |
56 |
14 |
26778 |
◊ |
D |
-x-1,-x+y-1,-z-1/3 |
6_444 |
72 |
22 |
26603 |
530.4 |
-1.3 |
0.463 |
1 |
0 |
0 |
0.000 |
| 5 |
8 |
|
C |
40 |
13 |
26771 |
◊ |
A |
-x-1,-x+y-1,-z-1/3 |
6_444 |
51 |
17 |
26778 |
378.5 |
3.5 |
0.746 |
4 |
1 |
0 |
0.000 |
| 6 |
9 |
|
A |
42 |
12 |
26778 |
◊ |
D |
-y,x-y+1,z-1/3 |
2_564 |
31 |
11 |
26603 |
347.2 |
7.3 |
0.968 |
8 |
7 |
0 |
0.000 |
| 7 |
10 |
|
D |
42 |
10 |
26603 |
x |
D |
-y,x-y+1,z-1/3 |
2_564 |
35 |
10 |
26603 |
332.1 |
1.9 |
0.704 |
2 |
3 |
0 |
0.000 |
| 8 |
11 |
|
B |
28 |
9 |
26680 |
◊ |
A |
-x-1,-x+y-1,-z-1/3 |
6_444 |
30 |
12 |
26778 |
252.2 |
-0.4 |
0.496 |
4 |
3 |
0 |
0.000 |
| 9 |
12 |
|
D |
25 |
8 |
26603 |
◊ |
B |
-y,x-y+1,z-1/3 |
2_564 |
29 |
8 |
26680 |
239.0 |
0.1 |
0.583 |
2 |
3 |
0 |
0.000 |
| 10 |
13 |
|
B |
23 |
7 |
26680 |
◊ |
D |
y-1,x,-z |
4_455 |
19 |
10 |
26603 |
194.9 |
2.2 |
0.788 |
1 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[DGJ]D:801 |
11 |
1 |
290 |
f |
D |
x,y,z |
1_555 |
27 |
13 |
26603 |
186.4 |
4.9 |
0.530 |
7 |
0 |
0 |
0.000 |
15 |
|
[DGJ]C:801 |
11 |
1 |
292 |
f |
C |
x,y,z |
1_555 |
31 |
13 |
26771 |
186.1 |
4.6 |
0.483 |
7 |
0 |
0 |
0.000 |
16 |
|
[DGJ]B:801 |
11 |
1 |
289 |
f |
B |
x,y,z |
1_555 |
30 |
13 |
26680 |
185.3 |
4.7 |
0.532 |
8 |
0 |
0 |
0.000 |
17 |
|
[DGJ]A:801 |
11 |
1 |
290 |
f |
A |
x,y,z |
1_555 |
27 |
13 |
26778 |
184.8 |
5.0 |
0.551 |
7 |
0 |
0 |
0.000 |
| Average: |
185.6 |
4.8 |
0.524 |
7 |
0 |
0 |
0.000 |
| 12 |
18 |
|
A |
18 |
6 |
26778 |
◊ |
C |
y-1,x,-z |
4_455 |
23 |
8 |
26771 |
147.9 |
-0.9 |
0.431 |
1 |
0 |
0 |
0.000 |
| 13 |
19 |
|
C |
15 |
3 |
26771 |
◊ |
A |
-y,x-y+1,z-1/3 |
2_564 |
15 |
3 |
26778 |
129.5 |
-0.2 |
0.474 |
3 |
2 |
0 |
0.000 |
| 14 |
20 |
|
C |
14 |
4 |
26771 |
◊ |
C |
-x,-x+y,-z-1/3 |
6_554 |
13 |
4 |
26771 |
116.3 |
1.4 |
0.795 |
2 |
2 |
0 |
0.000 |
| 15 |
21 |
|
[SO4]C:803 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
26771 |
109.9 |
-18.1 |
0.622 |
3 |
0 |
0 |
0.217 |
| 16 |
22 |
|
[SO4]D:804 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
20 |
8 |
26603 |
106.8 |
-17.4 |
0.541 |
4 |
0 |
0 |
0.210 |
| 17 |
23 |
|
[SO4]A:803 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
26778 |
105.2 |
-17.1 |
0.523 |
3 |
0 |
0 |
0.211 |
| 18 |
24 |
|
[SO4]B:803 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
26680 |
104.3 |
-17.2 |
0.478 |
2 |
0 |
0 |
0.208 |
| 19 |
25 |
|
[SO4]B:802 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
26680 |
96.4 |
-14.1 |
0.574 |
3 |
0 |
0 |
0.177 |
| 20 |
26 |
|
[EDO]D:802 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
17 |
8 |
26603 |
95.2 |
2.7 |
0.444 |
1 |
0 |
0 |
0.000 |
| 21 |
27 |
|
[SO4]C:802 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
18 |
9 |
26771 |
95.2 |
-13.9 |
0.612 |
2 |
0 |
0 |
0.165 |
| 22 |
28 |
|
[SO4]A:802 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
26778 |
93.9 |
-13.8 |
0.629 |
2 |
0 |
0 |
0.169 |
| 23 |
29 |
|
[SO4]D:803 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
18 |
9 |
26603 |
91.9 |
-14.0 |
0.571 |
2 |
0 |
0 |
0.163 |
| 24 |
30 |
|
C |
15 |
4 |
26771 |
◊ |
B |
-y,x-y+1,z-1/3 |
2_564 |
9 |
4 |
26680 |
86.1 |
0.2 |
0.630 |
1 |
0 |
0 |
0.000 |
| 25 |
31 |
|
C |
10 |
5 |
26771 |
◊ |
D |
-y,x-y+1,z-1/3 |
2_564 |
11 |
6 |
26603 |
85.5 |
1.0 |
0.698 |
0 |
0 |
0 |
0.000 |
| 26 |
32 |
|
A |
5 |
3 |
26778 |
◊ |
D |
y-1,x,-z |
4_455 |
7 |
4 |
26603 |
64.7 |
-0.9 |
0.263 |
0 |
0 |
0 |
0.000 |
| 27 |
33 |
|
[SO4]D:803 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
26680 |
58.1 |
-7.9 |
0.628 |
1 |
0 |
0 |
0.092 |
| 28 |
34 |
|
[SO4]B:802 |
5 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
26603 |
57.1 |
-7.6 |
0.640 |
2 |
0 |
0 |
0.093 |
| 29 |
35 |
|
[SO4]A:802 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
26771 |
56.9 |
-7.8 |
0.630 |
2 |
0 |
0 |
0.097 |
| 30 |
36 |
|
[SO4]C:802 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
26778 |
55.6 |
-7.6 |
0.649 |
1 |
0 |
0 |
0.089 |
| 31 |
37 |
|
A |
5 |
3 |
26778 |
◊ |
B |
y-1,x,-z |
4_455 |
7 |
4 |
26680 |
50.0 |
0.5 |
0.521 |
0 |
1 |
0 |
0.000 |
| 32 |
38 |
|
A |
3 |
2 |
26778 |
◊ |
[SO4]D:804 |
-x-1,-x+y-1,-z-1/3 |
6_444 |
3 |
1 |
185 |
31.8 |
-4.3 |
0.341 |
0 |
0 |
0 |
0.000 |
| 33 |
39 |
|
B |
3 |
3 |
26680 |
◊ |
C |
y-1,x,-z |
4_455 |
1 |
1 |
26771 |
17.9 |
1.2 |
0.935 |
0 |
0 |
0 |
0.000 |
| 34 |
40 |
|
[EDO]D:802 |
2 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
26778 |
9.0 |
-0.0 |
0.626 |
0 |
0 |
0 |
0.000 |
| 35 |
41 |
|
D |
1 |
1 |
26603 |
◊ |
D |
y-1,x+1,-z |
4_465 |
1 |
1 |
26603 |
2.7 |
0.2 |
0.838 |
0 |
0 |
0 |
0.000 |
|