## |
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 |
267 |
74 |
15762 |
◊ |
C |
x,y,z |
1_555 |
273 |
74 |
15871 |
2534.8 |
-34.8 |
0.009 |
21 |
16 |
0 |
0.241 |
2 |
|
B |
269 |
74 |
15668 |
◊ |
A |
x,y,z |
1_555 |
262 |
73 |
15771 |
2474.6 |
-40.6 |
0.001 |
13 |
9 |
0 |
0.241 |
Average: |
2504.7 |
-37.7 |
0.005 |
17 |
13 |
0 |
0.241 |
2 |
3 |
|
D |
51 |
13 |
15762 |
◊ |
D |
-x,-y+1,z |
2_565 |
51 |
13 |
15762 |
519.8 |
2.7 |
0.853 |
12 |
8 |
0 |
0.031 |
4 |
|
B |
55 |
15 |
15668 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
56 |
16 |
15771 |
481.7 |
-0.9 |
0.632 |
9 |
6 |
0 |
0.031 |
Average: |
500.8 |
0.9 |
0.743 |
11 |
7 |
0 |
0.031 |
3 |
5 |
|
C |
55 |
16 |
15871 |
◊ |
C |
-x+1,-y+1,z |
2_665 |
54 |
16 |
15871 |
488.2 |
0.1 |
0.698 |
4 |
2 |
0 |
0.000 |
4 |
6 |
|
A |
58 |
17 |
15771 |
◊ |
B |
x,y,z-1 |
1_554 |
56 |
19 |
15668 |
481.3 |
3.7 |
0.873 |
4 |
3 |
0 |
0.000 |
7 |
|
C |
51 |
16 |
15871 |
◊ |
D |
x,y,z-1 |
1_554 |
55 |
17 |
15762 |
444.7 |
3.0 |
0.854 |
3 |
2 |
0 |
0.000 |
Average: |
463.0 |
3.3 |
0.863 |
4 |
3 |
0 |
0.000 |
5 |
8 |
|
B |
33 |
9 |
15668 |
◊ |
D |
-x+1/2,y-1/2,-z+2 |
3_547 |
31 |
9 |
15762 |
318.5 |
-0.5 |
0.613 |
0 |
0 |
0 |
0.000 |
9 |
|
C |
34 |
9 |
15871 |
◊ |
B |
x,y,z |
1_555 |
29 |
9 |
15668 |
307.6 |
-0.4 |
0.623 |
0 |
0 |
0 |
0.000 |
Average: |
313.0 |
-0.4 |
0.618 |
0 |
0 |
0 |
0.000 |
6 |
10 |
|
[PLP]D:404 |
11 |
1 |
328 |
f |
D |
x,y,z |
1_555 |
29 |
12 |
15762 |
144.4 |
0.5 |
0.479 |
1 |
0 |
0 |
0.000 |
11 |
|
[PLP]A:406 |
11 |
1 |
328 |
f |
B |
x,y,z |
1_555 |
27 |
11 |
15668 |
140.9 |
0.3 |
0.457 |
1 |
0 |
0 |
0.000 |
Average: |
142.7 |
0.4 |
0.468 |
1 |
0 |
0 |
0.001 |
7 |
12 |
|
[PLP]A:406 |
12 |
1 |
328 |
◊ |
A |
x,y,z |
1_555 |
21 |
9 |
15771 |
134.7 |
2.1 |
0.539 |
2 |
0 |
0 |
0.000 |
13 |
|
[PLP]D:404 |
12 |
1 |
328 |
◊ |
C |
x,y,z |
1_555 |
22 |
10 |
15871 |
132.9 |
2.0 |
0.545 |
1 |
0 |
0 |
0.000 |
Average: |
133.8 |
2.0 |
0.542 |
2 |
0 |
0 |
0.000 |
8 |
14 |
|
[SO4]C:406 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
15871 |
105.5 |
-16.7 |
0.658 |
2 |
0 |
0 |
0.091 |
9 |
15 |
|
[SO4]C:408 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
20 |
6 |
15871 |
105.1 |
-15.8 |
0.820 |
2 |
0 |
0 |
0.086 |
10 |
16 |
|
[SO4]A:404 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
15771 |
104.6 |
-15.4 |
0.782 |
2 |
0 |
0 |
0.087 |
11 |
17 |
|
[SO4]B:407 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
15668 |
100.5 |
-13.7 |
0.836 |
2 |
0 |
0 |
0.079 |
12 |
18 |
|
[SO4]C:404 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
15871 |
90.3 |
-12.7 |
0.751 |
1 |
0 |
0 |
0.068 |
13 |
19 |
|
[SO4]A:402 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
15771 |
89.6 |
-12.6 |
0.792 |
3 |
0 |
0 |
0.075 |
14 |
20 |
|
[SO4]B:408 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
15668 |
88.8 |
-12.7 |
0.745 |
2 |
0 |
0 |
0.073 |
15 |
21 |
|
[SO4]D:403 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
15762 |
87.7 |
-12.6 |
0.807 |
3 |
0 |
0 |
0.072 |
16 |
22 |
|
A |
17 |
6 |
15771 |
◊ |
D |
x,y,z-1 |
1_554 |
14 |
6 |
15762 |
83.8 |
-0.4 |
0.575 |
0 |
0 |
0 |
0.000 |
17 |
23 |
|
[SO4]B:404 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
15668 |
81.0 |
-12.1 |
0.720 |
3 |
0 |
0 |
0.072 |
18 |
24 |
|
[SO4]A:401 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
15771 |
80.8 |
-9.6 |
0.942 |
5 |
0 |
0 |
0.063 |
19 |
25 |
|
[SO4]C:403 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
15871 |
80.1 |
-11.9 |
0.745 |
4 |
0 |
0 |
0.071 |
20 |
26 |
|
[SO4]B:403 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
15668 |
79.8 |
-9.8 |
0.955 |
4 |
0 |
0 |
0.062 |
21 |
27 |
|
[SO4]B:405 |
5 |
1 |
184 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
13 |
6 |
15771 |
74.5 |
-9.9 |
0.873 |
3 |
0 |
0 |
0.060 |
22 |
28 |
|
[SO4]B:405 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
15668 |
74.0 |
-9.9 |
0.877 |
4 |
0 |
0 |
0.063 |
23 |
29 |
|
[SO4]D:402 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
15762 |
73.7 |
-9.7 |
0.897 |
4 |
0 |
0 |
0.059 |
24 |
30 |
|
[SO4]A:403 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
15771 |
71.8 |
-9.3 |
0.855 |
2 |
0 |
0 |
0.055 |
25 |
31 |
|
[SO4]C:407 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
15871 |
69.9 |
-9.1 |
0.864 |
3 |
0 |
0 |
0.054 |
26 |
32 |
|
[SO4]C:405 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
15871 |
69.1 |
-8.9 |
0.780 |
2 |
0 |
0 |
0.051 |
27 |
33 |
|
[SO4]A:405 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
15771 |
67.9 |
-9.3 |
0.750 |
1 |
0 |
0 |
0.053 |
28 |
34 |
|
[SO4]B:402 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
15668 |
67.8 |
-8.7 |
0.810 |
1 |
0 |
0 |
0.049 |
29 |
35 |
|
[SO4]C:401 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
15871 |
60.4 |
-7.4 |
0.908 |
3 |
0 |
0 |
0.045 |
30 |
36 |
|
[SO4]B:409 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
15668 |
60.0 |
-7.6 |
0.881 |
1 |
0 |
0 |
0.043 |
31 |
37 |
|
[SO4]A:401 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
15668 |
56.9 |
-7.7 |
0.686 |
0 |
0 |
0 |
0.034 |
32 |
38 |
|
[SO4]D:401 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
15762 |
56.9 |
-6.7 |
0.935 |
4 |
0 |
0 |
0.044 |
33 |
39 |
|
[SO4]B:406 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
15668 |
56.0 |
-7.1 |
0.855 |
1 |
0 |
0 |
0.041 |
34 |
40 |
|
[SO4]D:401 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
15871 |
55.6 |
-7.7 |
0.619 |
0 |
0 |
0 |
0.040 |
35 |
41 |
|
[SO4]B:403 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
15771 |
54.4 |
-7.4 |
0.613 |
0 |
0 |
0 |
0.033 |
36 |
42 |
|
B |
9 |
3 |
15668 |
◊ |
C |
-x+1/2,y-1/2,-z+2 |
3_547 |
6 |
2 |
15871 |
53.8 |
1.3 |
0.830 |
1 |
0 |
0 |
0.000 |
43 |
|
C |
4 |
2 |
15871 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
15771 |
24.7 |
0.8 |
0.842 |
0 |
0 |
0 |
0.000 |
Average: |
39.3 |
1.1 |
0.836 |
1 |
0 |
0 |
0.000 |
37 |
44 |
|
[SO4]C:401 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
15762 |
51.2 |
-7.0 |
0.689 |
0 |
0 |
0 |
0.036 |
38 |
45 |
|
[SO4]B:401 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
15668 |
51.0 |
-5.9 |
0.954 |
2 |
0 |
0 |
0.036 |
39 |
46 |
|
[SO4]C:402 |
3 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
15871 |
50.0 |
-5.9 |
0.910 |
2 |
0 |
0 |
0.035 |
40 |
47 |
|
A |
7 |
2 |
15771 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
3_546 |
6 |
2 |
15871 |
48.0 |
0.0 |
0.462 |
0 |
0 |
0 |
0.000 |
41 |
48 |
|
[SO4]B:409 |
4 |
1 |
184 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
8 |
3 |
15771 |
47.8 |
-6.3 |
0.742 |
0 |
0 |
0 |
0.034 |
42 |
49 |
|
[SO4]B:402 |
5 |
1 |
185 |
◊ |
D |
-x+1/2,y-1/2,-z+2 |
3_547 |
6 |
4 |
15762 |
41.6 |
-3.7 |
0.951 |
2 |
0 |
0 |
0.000 |
43 |
50 |
|
[SO4]B:401 |
4 |
1 |
185 |
◊ |
D |
-x+1/2,y-1/2,-z+2 |
3_547 |
4 |
1 |
15762 |
37.2 |
-4.7 |
0.413 |
0 |
0 |
0 |
0.000 |
44 |
51 |
|
[SO4]C:402 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
15668 |
35.9 |
-4.5 |
0.422 |
0 |
0 |
0 |
0.000 |
45 |
52 |
|
[SO4]B:406 |
4 |
1 |
185 |
◊ |
D |
-x+1/2,y-1/2,-z+2 |
3_547 |
7 |
2 |
15762 |
32.6 |
-4.5 |
0.724 |
0 |
0 |
0 |
0.000 |
46 |
53 |
|
[SO4]B:406 |
1 |
1 |
185 |
◊ |
[SO4]D:402 |
-x+1/2,y-1/2,-z+2 |
3_547 |
4 |
1 |
184 |
20.2 |
-4.5 |
0.894 |
0 |
0 |
0 |
0.000 |
47 |
54 |
|
[SO4]C:404 |
1 |
1 |
185 |
f |
[SO4]C:403 |
x,y,z |
1_555 |
2 |
1 |
184 |
11.0 |
-2.6 |
0.876 |
0 |
0 |
0 |
0.014 |
48 |
55 |
|
[SO4]B:408 |
1 |
1 |
185 |
f |
[SO4]B:404 |
x,y,z |
1_555 |
3 |
1 |
186 |
9.9 |
-2.3 |
0.891 |
0 |
0 |
0 |
0.013 |
49 |
56 |
|
[SO4]B:406 |
1 |
1 |
185 |
f |
[SO4]B:401 |
x,y,z |
1_555 |
1 |
1 |
185 |
4.8 |
-1.1 |
0.800 |
0 |
0 |
0 |
0.006 |
50 |
57 |
|
[SO4]A:404 |
1 |
1 |
185 |
f |
[SO4]A:402 |
x,y,z |
1_555 |
2 |
1 |
185 |
3.5 |
-0.7 |
1.000 |
0 |
0 |
0 |
0.004 |
|