## |
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 |
209 |
56 |
6598 |
◊ |
C |
x,y,z |
1_555 |
234 |
62 |
8573 |
2051.1 |
-30.0 |
0.125 |
34 |
0 |
0 |
0.715 |
2 |
|
B |
202 |
54 |
6209 |
◊ |
A |
x,y,z |
1_555 |
231 |
58 |
8956 |
1964.7 |
-30.9 |
0.119 |
34 |
0 |
0 |
0.715 |
Average: |
2007.9 |
-30.5 |
0.122 |
34 |
0 |
0 |
0.715 |
2 |
3 |
|
D |
132 |
36 |
6598 |
◊ |
B |
x,y,z |
1_555 |
129 |
36 |
6209 |
1134.9 |
-15.6 |
0.267 |
10 |
0 |
0 |
0.628 |
3 |
4 |
|
E |
109 |
33 |
7018 |
◊ |
C |
x,y,z |
1_555 |
91 |
26 |
8573 |
935.1 |
-2.1 |
0.646 |
16 |
7 |
0 |
0.041 |
5 |
|
F |
104 |
34 |
6979 |
◊ |
A |
x,y,z |
1_555 |
89 |
26 |
8956 |
933.0 |
-3.0 |
0.554 |
16 |
9 |
0 |
0.041 |
Average: |
934.1 |
-2.6 |
0.600 |
16 |
8 |
0 |
0.041 |
4 |
6 |
|
D |
62 |
16 |
6598 |
◊ |
A |
x,y,z |
1_555 |
56 |
11 |
8956 |
498.1 |
-2.6 |
0.653 |
11 |
2 |
0 |
0.073 |
7 |
|
B |
53 |
14 |
6209 |
◊ |
C |
x,y,z |
1_555 |
44 |
9 |
8573 |
372.1 |
-2.0 |
0.682 |
7 |
3 |
0 |
0.073 |
Average: |
435.1 |
-2.3 |
0.668 |
9 |
3 |
0 |
0.073 |
5 |
8 |
|
C |
41 |
14 |
8573 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
41 |
10 |
8956 |
379.4 |
-4.0 |
0.429 |
2 |
6 |
0 |
0.000 |
6 |
9 |
|
E |
37 |
12 |
7018 |
◊ |
F |
-x,y-1/2,-z-1/2 |
3_544 |
46 |
14 |
6979 |
376.5 |
1.0 |
0.720 |
2 |
2 |
0 |
0.000 |
7 |
10 |
|
H |
26 |
4 |
718 |
◊ |
B |
x,y,z |
1_555 |
40 |
11 |
6209 |
298.8 |
-2.0 |
0.567 |
7 |
5 |
0 |
0.029 |
8 |
11 |
|
E |
27 |
8 |
7018 |
◊ |
F |
-x-1/2,-y,z-1/2 |
2_454 |
27 |
9 |
6979 |
270.6 |
-1.8 |
0.391 |
1 |
0 |
0 |
0.000 |
9 |
12 |
|
C |
25 |
8 |
8573 |
◊ |
A |
x,y,z |
1_555 |
25 |
11 |
8956 |
269.2 |
-7.4 |
0.045 |
0 |
0 |
0 |
0.041 |
10 |
13 |
|
G |
27 |
4 |
713 |
◊ |
D |
x,y,z |
1_555 |
38 |
10 |
6598 |
265.9 |
-0.3 |
0.742 |
8 |
5 |
0 |
0.023 |
11 |
14 |
|
A |
24 |
7 |
8956 |
◊ |
E |
-x,y-1/2,-z-1/2 |
3_544 |
33 |
11 |
7018 |
233.2 |
-2.4 |
0.409 |
1 |
0 |
0 |
0.000 |
12 |
15 |
|
G |
20 |
4 |
713 |
◊ |
C |
x,y,z |
1_555 |
29 |
11 |
8573 |
220.6 |
-0.3 |
0.664 |
6 |
7 |
0 |
0.042 |
16 |
|
H |
19 |
4 |
718 |
◊ |
A |
x,y,z |
1_555 |
30 |
11 |
8956 |
215.7 |
-0.8 |
0.619 |
6 |
6 |
0 |
0.042 |
Average: |
218.2 |
-0.6 |
0.641 |
6 |
7 |
0 |
0.042 |
13 |
17 |
|
A |
27 |
9 |
8956 |
◊ |
F |
x-1/2,-y+1/2,-z |
4_455 |
29 |
13 |
6979 |
219.9 |
-0.1 |
0.662 |
1 |
1 |
0 |
0.000 |
14 |
18 |
|
F |
23 |
8 |
6979 |
x |
F |
x-1/2,-y+1/2,-z |
4_455 |
20 |
5 |
6979 |
162.4 |
-0.4 |
0.558 |
1 |
2 |
0 |
0.000 |
15 |
19 |
|
D |
13 |
5 |
6598 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
10 |
4 |
8956 |
109.9 |
0.8 |
0.758 |
0 |
2 |
0 |
0.000 |
16 |
20 |
|
E |
19 |
7 |
7018 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
14 |
3 |
8956 |
107.7 |
0.9 |
0.754 |
0 |
0 |
0 |
0.000 |
17 |
21 |
|
[EDO]B:1479 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
6209 |
102.2 |
3.4 |
0.549 |
1 |
0 |
0 |
0.000 |
18 |
22 |
|
[SO4]C:1371 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
19 |
6 |
8573 |
97.7 |
-16.4 |
0.781 |
3 |
0 |
0 |
0.280 |
19 |
23 |
|
[SO4]A:1372 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
8956 |
94.2 |
-15.4 |
0.736 |
5 |
0 |
0 |
0.233 |
20 |
24 |
|
[EDO]F:1169 |
4 |
1 |
183 |
◊ |
F |
x,y,z |
1_555 |
12 |
6 |
6979 |
91.1 |
2.4 |
0.417 |
2 |
0 |
0 |
0.000 |
21 |
25 |
|
[EDO]F:1170 |
4 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
13 |
5 |
6979 |
86.0 |
2.3 |
0.299 |
4 |
0 |
0 |
0.000 |
22 |
26 |
|
[EDO]E:1169 |
4 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
13 |
5 |
7018 |
82.6 |
2.0 |
0.244 |
1 |
0 |
0 |
0.000 |
23 |
27 |
|
[EDO]D:1480 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
13 |
3 |
6598 |
69.7 |
1.5 |
0.265 |
1 |
0 |
0 |
0.000 |
24 |
28 |
|
[EDO]E:1169 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
8573 |
66.7 |
2.3 |
0.303 |
0 |
0 |
0 |
0.000 |
25 |
29 |
|
D |
8 |
3 |
6598 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
8 |
3 |
6209 |
62.4 |
-1.2 |
0.394 |
0 |
0 |
0 |
0.000 |
26 |
30 |
|
[EDO]D:1480 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
8573 |
62.0 |
1.1 |
0.231 |
1 |
0 |
0 |
0.000 |
27 |
31 |
|
A |
5 |
3 |
8956 |
f |
[EDO]F:1169 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
183 |
57.0 |
0.8 |
0.731 |
1 |
0 |
0 |
0.000 |
28 |
32 |
|
[SO4]B:1480 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
6209 |
54.5 |
-6.9 |
0.961 |
2 |
0 |
0 |
0.243 |
29 |
33 |
|
[SO4]B:1480 |
4 |
1 |
185 |
◊ |
E |
-x,y-1/2,-z-1/2 |
3_544 |
5 |
1 |
7018 |
45.8 |
-4.9 |
0.870 |
0 |
0 |
0 |
0.000 |
30 |
34 |
|
[SO4]B:1480 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
6598 |
39.1 |
-4.7 |
0.804 |
1 |
0 |
0 |
0.162 |
31 |
35 |
|
[EDO]B:1479 |
2 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
3 |
1 |
718 |
38.2 |
0.2 |
0.514 |
0 |
0 |
0 |
0.000 |
32 |
36 |
|
B |
4 |
2 |
6209 |
◊ |
E |
-x,y-1/2,-z-1/2 |
3_544 |
8 |
2 |
7018 |
33.4 |
0.1 |
0.658 |
0 |
0 |
0 |
0.000 |
33 |
37 |
|
[EDO]D:1480 |
2 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
6209 |
27.7 |
0.5 |
0.802 |
1 |
0 |
0 |
0.000 |
34 |
38 |
|
[SO4]B:1480 |
2 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
8956 |
25.5 |
-3.9 |
0.645 |
0 |
0 |
0 |
0.052 |
35 |
39 |
|
F |
4 |
1 |
6979 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
6598 |
21.5 |
-0.6 |
0.309 |
0 |
0 |
0 |
0.000 |
36 |
40 |
|
C |
6 |
3 |
8573 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
5 |
3 |
6209 |
15.6 |
-0.1 |
0.622 |
0 |
0 |
0 |
0.000 |
37 |
41 |
|
D |
1 |
1 |
6598 |
◊ |
E |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
1 |
7018 |
11.2 |
0.1 |
0.661 |
0 |
0 |
0 |
0.000 |
38 |
42 |
|
[SO4]A:1372 |
1 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
6209 |
3.6 |
-0.4 |
0.876 |
0 |
0 |
0 |
0.005 |
39 |
43 |
|
[SO4]C:1371 |
1 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
6598 |
3.1 |
-0.3 |
0.865 |
0 |
0 |
0 |
0.005 |
|