## |
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 |
339 |
79 |
12317 |
◊ |
C |
x,y,z |
1_555 |
341 |
85 |
11784 |
3213.6 |
-43.1 |
0.101 |
34 |
8 |
0 |
0.517 |
2 |
|
B |
321 |
73 |
12603 |
◊ |
A |
x,y,z |
1_555 |
330 |
79 |
11177 |
3053.3 |
-40.5 |
0.083 |
29 |
8 |
0 |
0.517 |
Average: |
3133.5 |
-41.8 |
0.092 |
32 |
8 |
0 |
0.517 |
2 |
3 |
|
H |
91 |
18 |
4188 |
◊ |
G |
x,y,z |
1_555 |
85 |
19 |
4467 |
838.5 |
-11.7 |
0.631 |
46 |
0 |
0 |
0.870 |
3 |
4 |
|
E |
73 |
15 |
3608 |
◊ |
F |
x,y,z |
1_555 |
72 |
16 |
3716 |
703.1 |
-7.9 |
0.680 |
42 |
0 |
0 |
1.000 |
4 |
5 |
|
A |
48 |
17 |
11177 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
51 |
16 |
11784 |
462.1 |
-1.4 |
0.706 |
6 |
6 |
0 |
0.000 |
5 |
6 |
|
G |
55 |
12 |
4467 |
◊ |
C |
x,y,z |
1_555 |
49 |
14 |
11784 |
435.5 |
-2.0 |
0.789 |
4 |
0 |
0 |
0.021 |
6 |
7 |
|
H |
44 |
5 |
4188 |
◊ |
C |
x,y,z |
1_555 |
44 |
14 |
11784 |
376.5 |
-4.6 |
0.509 |
6 |
0 |
0 |
0.131 |
8 |
|
F |
44 |
5 |
3716 |
◊ |
A |
x,y,z |
1_555 |
40 |
11 |
11177 |
358.7 |
-4.0 |
0.550 |
7 |
0 |
0 |
0.131 |
Average: |
367.6 |
-4.3 |
0.530 |
7 |
0 |
0 |
0.131 |
7 |
9 |
|
D |
38 |
11 |
12317 |
◊ |
A |
x,y,z |
1_555 |
40 |
9 |
11177 |
344.2 |
-3.8 |
0.422 |
4 |
0 |
0 |
0.020 |
8 |
10 |
|
E |
43 |
11 |
3608 |
◊ |
A |
x,y,z |
1_555 |
40 |
12 |
11177 |
323.5 |
-4.1 |
0.639 |
3 |
0 |
0 |
0.032 |
9 |
11 |
|
G |
40 |
9 |
4467 |
◊ |
D |
x,y,z |
1_555 |
32 |
9 |
12317 |
317.6 |
-2.8 |
0.708 |
6 |
0 |
0 |
0.086 |
10 |
12 |
|
H |
34 |
5 |
4188 |
◊ |
D |
x,y,z |
1_555 |
36 |
10 |
12317 |
306.8 |
-4.6 |
0.493 |
7 |
0 |
0 |
0.121 |
11 |
13 |
|
F |
37 |
5 |
3716 |
◊ |
B |
x,y,z |
1_555 |
31 |
8 |
12603 |
298.5 |
-2.3 |
0.632 |
8 |
0 |
0 |
0.045 |
12 |
14 |
|
C |
28 |
8 |
11784 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
30 |
8 |
11177 |
278.7 |
-4.3 |
0.299 |
0 |
0 |
0 |
0.000 |
13 |
15 |
|
E |
36 |
10 |
3608 |
◊ |
B |
x,y,z |
1_555 |
27 |
8 |
12603 |
265.3 |
-2.6 |
0.681 |
5 |
0 |
0 |
0.029 |
14 |
16 |
|
G |
28 |
2 |
4467 |
◊ |
A |
x,y,z |
1_555 |
31 |
11 |
11177 |
261.9 |
0.3 |
0.751 |
4 |
0 |
0 |
0.004 |
15 |
17 |
|
B |
18 |
7 |
12603 |
x |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
33 |
13 |
12603 |
186.3 |
-3.7 |
0.264 |
0 |
0 |
0 |
0.000 |
16 |
18 |
|
D |
22 |
8 |
12317 |
◊ |
B |
x,y,z |
1_555 |
21 |
6 |
12603 |
166.9 |
-1.6 |
0.499 |
0 |
0 |
0 |
0.006 |
17 |
19 |
|
H |
21 |
3 |
4188 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
11177 |
158.7 |
0.5 |
0.727 |
3 |
0 |
0 |
0.003 |
18 |
20 |
|
F |
19 |
3 |
3716 |
◊ |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
25 |
8 |
12603 |
147.5 |
0.3 |
0.682 |
0 |
0 |
0 |
0.000 |
19 |
21 |
|
G |
20 |
3 |
4467 |
◊ |
J |
x,y,z |
1_555 |
13 |
2 |
459 |
140.0 |
-0.8 |
0.795 |
1 |
0 |
0 |
0.000 |
20 |
22 |
|
H |
16 |
2 |
4188 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
12603 |
116.2 |
1.5 |
0.727 |
1 |
0 |
0 |
0.000 |
21 |
23 |
|
[SO4]A:502 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
19 |
10 |
11177 |
116.0 |
-17.7 |
0.717 |
3 |
0 |
0 |
0.166 |
22 |
24 |
|
[SO4]C:503 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
11784 |
114.7 |
-17.9 |
0.737 |
3 |
0 |
0 |
0.348 |
23 |
25 |
|
G |
17 |
1 |
4467 |
◊ |
B |
x,y,z |
1_555 |
16 |
4 |
12603 |
106.6 |
1.0 |
0.794 |
2 |
0 |
0 |
0.000 |
24 |
26 |
|
E |
13 |
1 |
3608 |
◊ |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
14 |
4 |
12603 |
102.3 |
-0.3 |
0.530 |
1 |
0 |
0 |
0.000 |
25 |
27 |
|
[SO4]C:502 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
16 |
9 |
11784 |
91.5 |
-12.0 |
0.886 |
6 |
0 |
0 |
0.265 |
26 |
28 |
|
[SO4]D:501 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
12317 |
87.7 |
-11.8 |
0.834 |
4 |
0 |
0 |
0.213 |
27 |
29 |
|
[SO4]B:501 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
9 |
12603 |
86.8 |
-11.6 |
0.869 |
5 |
0 |
0 |
0.121 |
28 |
30 |
|
[SO4]A:501 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
11177 |
85.1 |
-10.8 |
0.896 |
4 |
0 |
0 |
0.110 |
29 |
31 |
|
H |
13 |
2 |
4188 |
◊ |
J |
x,y,z |
1_555 |
7 |
1 |
459 |
76.7 |
-1.4 |
0.558 |
0 |
0 |
0 |
0.000 |
30 |
32 |
|
[SO4]B:502 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
12603 |
63.5 |
-8.7 |
0.743 |
1 |
0 |
0 |
0.080 |
31 |
33 |
|
C |
9 |
5 |
11784 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
9 |
4 |
12603 |
62.1 |
-0.2 |
0.521 |
0 |
0 |
0 |
0.000 |
32 |
34 |
|
D |
9 |
5 |
12317 |
x |
D |
-x+1,y-1/2,-z+3/2 |
3_646 |
7 |
3 |
12317 |
61.1 |
-1.4 |
0.333 |
0 |
0 |
0 |
0.000 |
33 |
35 |
|
[CL]C:501 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
11784 |
45.4 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.103 |
34 |
36 |
|
[MG]H:101 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
5 |
2 |
4188 |
37.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.130 |
35 |
37 |
|
[SO4]B:502 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
11177 |
37.0 |
-3.4 |
0.982 |
2 |
0 |
0 |
0.037 |
36 |
38 |
|
B |
5 |
1 |
12603 |
◊ |
F |
x-1/2,-y+3/2,-z+1 |
4_466 |
4 |
1 |
3716 |
29.1 |
-0.2 |
0.549 |
0 |
0 |
0 |
0.000 |
37 |
39 |
|
[CL]C:501 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
12317 |
28.8 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.022 |
38 |
40 |
|
[MG]H:101 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
11177 |
27.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.011 |
39 |
41 |
|
[SO4]C:503 |
3 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
4188 |
21.7 |
-3.6 |
0.542 |
0 |
0 |
0 |
0.065 |
40 |
42 |
|
[SO4]A:502 |
2 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
3716 |
20.4 |
-3.3 |
0.555 |
0 |
0 |
0 |
0.025 |
41 |
43 |
|
[SO4]B:501 |
2 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
12317 |
19.8 |
-2.2 |
0.936 |
1 |
0 |
0 |
0.009 |
42 |
44 |
|
[MG]H:101 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
12603 |
17.5 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.007 |
43 |
45 |
|
A |
2 |
1 |
11177 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
12603 |
12.1 |
-0.4 |
0.268 |
0 |
0 |
0 |
0.000 |
44 |
46 |
|
[SO4]A:501 |
1 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
12603 |
8.3 |
-0.9 |
0.780 |
0 |
0 |
0 |
0.008 |
45 |
47 |
|
[SO4]C:502 |
1 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
12317 |
0.2 |
-0.0 |
0.813 |
0 |
0 |
0 |
0.000 |
|