| ## |
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 |
165 |
42 |
8605 |
◊ |
A |
x,y,z |
1_555 |
175 |
44 |
8502 |
1471.6 |
-18.3 |
0.335 |
19 |
6 |
0 |
0.116 |
| 2 |
2 |
|
A |
48 |
11 |
8502 |
x |
A |
-y-1,x-y-1,z+1/3 |
2_445 |
54 |
17 |
8502 |
428.1 |
-4.8 |
0.480 |
6 |
1 |
0 |
0.000 |
3 |
|
B |
53 |
16 |
8605 |
x |
B |
-y,x-y-1,z+1/3 |
2_545 |
46 |
12 |
8605 |
416.7 |
-5.5 |
0.364 |
5 |
1 |
0 |
0.000 |
| Average: |
422.4 |
-5.2 |
0.422 |
6 |
1 |
0 |
0.000 |
| 3 |
4 |
|
[CD9]B:213 |
24 |
1 |
503 |
f |
B |
x,y,z |
1_555 |
37 |
13 |
8605 |
301.5 |
-8.6 |
0.281 |
0 |
0 |
0 |
0.071 |
5 |
|
[CD9]A:220 |
24 |
1 |
495 |
f |
A |
x,y,z |
1_555 |
41 |
15 |
8502 |
295.8 |
-8.4 |
0.347 |
0 |
0 |
0 |
0.071 |
| Average: |
298.6 |
-8.5 |
0.314 |
0 |
0 |
0 |
0.071 |
| 4 |
6 |
|
B |
25 |
11 |
8605 |
◊ |
A |
-y,x-y-1,z+1/3 |
2_545 |
29 |
8 |
8502 |
267.5 |
-2.9 |
0.327 |
2 |
0 |
0 |
0.000 |
7 |
|
B |
27 |
8 |
8605 |
◊ |
A |
-y-1,x-y-1,z+1/3 |
2_445 |
25 |
11 |
8502 |
252.3 |
-2.1 |
0.387 |
2 |
0 |
0 |
0.000 |
| Average: |
259.9 |
-2.5 |
0.357 |
2 |
0 |
0 |
0.000 |
| 5 |
8 |
|
A |
13 |
4 |
8502 |
◊ |
B |
-y-1,x-y-1,z-2/3 |
2_444 |
15 |
5 |
8605 |
109.6 |
-1.3 |
0.468 |
1 |
0 |
0 |
0.000 |
9 |
|
A |
13 |
4 |
8502 |
◊ |
B |
-y,x-y-1,z-2/3 |
2_544 |
12 |
3 |
8605 |
102.9 |
-1.4 |
0.457 |
0 |
0 |
0 |
0.000 |
| Average: |
106.2 |
-1.4 |
0.462 |
1 |
0 |
0 |
0.000 |
| 6 |
10 |
|
[SO4]B:3 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
8605 |
101.3 |
-13.5 |
0.909 |
5 |
0 |
0 |
0.066 |
| 7 |
11 |
|
[SO4]A:4 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
8502 |
100.4 |
-14.0 |
0.834 |
3 |
0 |
0 |
0.065 |
| 8 |
12 |
|
[SO4]B:7 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
8605 |
99.8 |
-16.7 |
0.782 |
3 |
0 |
0 |
0.076 |
| 9 |
13 |
|
[SO4]B:9 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
8605 |
91.6 |
-13.8 |
0.745 |
0 |
0 |
0 |
0.058 |
| 10 |
14 |
|
[SO4]A:10 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
8502 |
90.9 |
-13.6 |
0.762 |
1 |
0 |
0 |
0.059 |
| 11 |
15 |
|
[SO4]A:8 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
8502 |
87.8 |
-13.6 |
0.810 |
5 |
0 |
0 |
0.066 |
| 12 |
16 |
|
[SO4]B:1 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
8605 |
86.4 |
-11.0 |
0.949 |
5 |
0 |
0 |
0.056 |
| 13 |
17 |
|
[SO4]A:2 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
8502 |
86.2 |
-11.1 |
0.946 |
5 |
0 |
0 |
0.056 |
| 14 |
18 |
|
[SO4]B:6 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
8605 |
82.7 |
-12.6 |
0.849 |
7 |
0 |
0 |
0.066 |
| 15 |
19 |
|
[SO4]A:5 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
8502 |
77.9 |
-12.0 |
0.835 |
7 |
0 |
0 |
0.063 |
| 16 |
20 |
|
B |
9 |
3 |
8605 |
◊ |
[EDO]A:1 |
-y-1,x-y-1,z+1/3 |
2_445 |
4 |
1 |
186 |
66.1 |
1.4 |
0.666 |
1 |
0 |
0 |
0.000 |
| 17 |
21 |
|
B |
11 |
7 |
8605 |
◊ |
[EDO]A:213 |
-y,x-y-1,z+1/3 |
2_545 |
4 |
1 |
185 |
61.2 |
1.1 |
0.753 |
1 |
0 |
0 |
0.000 |
| 18 |
22 |
|
[EDO]A:1 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
8502 |
60.4 |
1.0 |
0.729 |
1 |
0 |
0 |
0.000 |
| 19 |
23 |
|
[SO4]B:11 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
8605 |
60.2 |
-9.2 |
0.778 |
1 |
0 |
0 |
0.041 |
| 20 |
24 |
|
[SO4]B:11 |
5 |
1 |
185 |
cf |
A |
x,y,z |
1_555 |
12 |
4 |
8502 |
59.8 |
-9.5 |
0.787 |
3 |
0 |
0 |
0.046 |
| 21 |
25 |
|
[EDO]A:213 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
8502 |
56.1 |
1.1 |
0.740 |
1 |
0 |
0 |
0.000 |
| 22 |
26 |
|
[SO4]B:1 |
4 |
1 |
183 |
◊ |
B |
-y,x-y-1,z+1/3 |
2_545 |
5 |
2 |
8605 |
48.6 |
-5.9 |
0.827 |
1 |
0 |
0 |
0.000 |
| 23 |
27 |
|
[SO4]A:10 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
8605 |
32.1 |
-3.6 |
0.935 |
2 |
0 |
0 |
0.019 |
| 24 |
28 |
|
A |
3 |
1 |
8502 |
◊ |
[SO4]A:2 |
-y-1,x-y-1,z+1/3 |
2_445 |
3 |
1 |
183 |
31.4 |
-3.8 |
0.589 |
0 |
0 |
0 |
0.000 |
| 25 |
29 |
|
[SO4]B:9 |
3 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
8502 |
30.9 |
-3.4 |
0.944 |
2 |
0 |
0 |
0.018 |
| 26 |
30 |
|
[SO4]B:6 |
3 |
1 |
184 |
◊ |
[EDO]A:213 |
-y,x-y-1,z+1/3 |
2_545 |
2 |
1 |
185 |
27.6 |
-2.5 |
0.996 |
2 |
0 |
0 |
0.000 |
| 27 |
31 |
|
B |
6 |
2 |
8605 |
◊ |
[SO4]A:5 |
-y-1,x-y-1,z+1/3 |
2_445 |
4 |
1 |
185 |
27.3 |
-3.4 |
0.788 |
0 |
0 |
0 |
0.000 |
| 28 |
32 |
|
[EDO]A:1 |
2 |
1 |
186 |
f |
[SO4]A:5 |
x,y,z |
1_555 |
3 |
1 |
185 |
23.9 |
-2.3 |
0.996 |
1 |
0 |
0 |
0.012 |
| 29 |
33 |
|
[SO4]B:9 |
4 |
1 |
187 |
◊ |
[SO4]A:10 |
x,y,z |
1_555 |
3 |
1 |
186 |
17.1 |
-3.9 |
0.995 |
0 |
0 |
0 |
0.016 |
| 30 |
34 |
|
[SO4]B:7 |
1 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
8502 |
16.7 |
-1.9 |
0.788 |
0 |
0 |
0 |
0.008 |
| 31 |
35 |
|
[SO4]B:9 |
3 |
1 |
187 |
◊ |
[SO4]B:11 |
x,y,z |
1_555 |
1 |
1 |
185 |
13.0 |
-2.9 |
0.891 |
0 |
0 |
0 |
0.012 |
| 32 |
36 |
|
[SO4]B:11 |
2 |
1 |
185 |
f |
[SO4]A:10 |
x,y,z |
1_555 |
3 |
1 |
186 |
11.1 |
-2.4 |
0.976 |
0 |
0 |
0 |
0.010 |
| 33 |
37 |
|
[SO4]A:8 |
1 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
8605 |
10.4 |
-1.2 |
0.759 |
0 |
0 |
0 |
0.005 |
| 34 |
38 |
|
[SO4]B:6 |
3 |
1 |
184 |
◊ |
A |
-y,x-y-1,z+1/3 |
2_545 |
3 |
2 |
8502 |
9.9 |
-1.1 |
0.806 |
0 |
0 |
0 |
0.000 |
|