## |
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 |
336 |
75 |
9037 |
◊ |
B |
x,y,z |
1_555 |
341 |
71 |
9153 |
3296.1 |
-53.7 |
0.142 |
31 |
17 |
0 |
0.857 |
2 |
|
D |
321 |
68 |
7645 |
◊ |
A |
x,y,z |
1_555 |
328 |
70 |
9327 |
3146.1 |
-53.0 |
0.148 |
34 |
15 |
0 |
0.857 |
Average: |
3221.1 |
-53.4 |
0.145 |
33 |
16 |
0 |
0.857 |
2 |
3 |
|
C |
76 |
20 |
9037 |
◊ |
A |
x,y,z |
1_555 |
54 |
10 |
9327 |
565.4 |
-1.4 |
0.838 |
16 |
0 |
0 |
0.029 |
3 |
4 |
|
B |
59 |
17 |
9153 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
56 |
16 |
9037 |
530.5 |
-3.7 |
0.689 |
10 |
1 |
0 |
0.000 |
5 |
|
A |
23 |
9 |
9327 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
28 |
9 |
7645 |
230.8 |
-2.4 |
0.599 |
0 |
0 |
0 |
0.000 |
Average: |
380.6 |
-3.1 |
0.644 |
5 |
1 |
0 |
0.000 |
4 |
6 |
|
A |
49 |
13 |
9327 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
49 |
15 |
9327 |
418.4 |
-2.4 |
0.633 |
6 |
2 |
0 |
0.000 |
7 |
|
B |
44 |
10 |
9153 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
46 |
14 |
9153 |
385.7 |
-1.0 |
0.760 |
7 |
2 |
0 |
0.000 |
Average: |
402.1 |
-1.7 |
0.697 |
7 |
2 |
0 |
0.000 |
5 |
8 |
|
A |
32 |
9 |
9327 |
◊ |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
42 |
10 |
9037 |
317.4 |
0.1 |
0.826 |
3 |
2 |
0 |
0.000 |
6 |
9 |
|
B |
40 |
10 |
9153 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
37 |
12 |
9327 |
308.0 |
-2.6 |
0.624 |
7 |
0 |
0 |
0.000 |
7 |
10 |
|
D |
41 |
9 |
7645 |
◊ |
B |
x,y,z |
1_555 |
42 |
10 |
9153 |
305.0 |
-1.9 |
0.747 |
5 |
3 |
0 |
0.037 |
8 |
11 |
|
B |
28 |
7 |
9153 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
29 |
11 |
7645 |
275.4 |
-0.5 |
0.794 |
2 |
1 |
0 |
0.000 |
9 |
12 |
|
B |
27 |
11 |
9153 |
◊ |
A |
x,y,z |
1_555 |
25 |
6 |
9327 |
242.7 |
-1.2 |
0.721 |
2 |
3 |
0 |
0.008 |
10 |
13 |
|
C |
22 |
6 |
9037 |
x |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
17 |
5 |
9037 |
198.0 |
-1.9 |
0.488 |
5 |
0 |
0 |
0.000 |
14 |
|
D |
17 |
4 |
7645 |
x |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
19 |
6 |
7645 |
167.8 |
-2.0 |
0.552 |
4 |
0 |
0 |
0.000 |
Average: |
182.9 |
-1.9 |
0.520 |
5 |
0 |
0 |
0.000 |
11 |
15 |
|
D |
25 |
6 |
7645 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
18 |
6 |
9327 |
193.3 |
-2.5 |
0.450 |
2 |
0 |
0 |
0.000 |
16 |
|
C |
24 |
6 |
9037 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
17 |
5 |
9153 |
177.4 |
-2.2 |
0.501 |
2 |
0 |
0 |
0.000 |
Average: |
185.3 |
-2.4 |
0.476 |
2 |
0 |
0 |
0.000 |
12 |
17 |
|
D |
26 |
8 |
7645 |
◊ |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
20 |
6 |
9037 |
182.9 |
-0.8 |
0.738 |
1 |
2 |
0 |
0.000 |
13 |
18 |
|
[BGC]B:99 |
10 |
1 |
303 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
9153 |
89.5 |
1.3 |
0.483 |
6 |
0 |
0 |
0.011 |
14 |
19 |
|
[PO4]C:99 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
9037 |
82.3 |
-4.3 |
0.897 |
3 |
0 |
0 |
0.066 |
15 |
20 |
|
[K]B:100 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
9153 |
79.7 |
-53.9 |
0.000 |
0 |
0 |
0 |
0.874 |
21 |
|
[K]B:100 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
15 |
6 |
7645 |
79.7 |
-54.4 |
0.000 |
0 |
0 |
0 |
0.874 |
Average: |
79.7 |
-54.1 |
0.000 |
0 |
0 |
0 |
0.874 |
16 |
22 |
|
B |
11 |
4 |
9153 |
◊ |
[EDO]B:101 |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
1 |
185 |
71.8 |
1.5 |
0.263 |
0 |
0 |
0 |
0.000 |
17 |
23 |
|
C |
12 |
3 |
9037 |
◊ |
[EDO]B:101 |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
1 |
185 |
69.2 |
1.4 |
0.250 |
1 |
0 |
0 |
0.000 |
18 |
24 |
|
[EDO]D:101 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
7645 |
64.4 |
1.0 |
0.217 |
0 |
0 |
0 |
0.000 |
19 |
25 |
|
[EDO]A:100 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
9327 |
64.0 |
0.9 |
0.748 |
3 |
0 |
0 |
0.111 |
20 |
26 |
|
[EDO]D:101 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
9327 |
63.0 |
1.7 |
0.240 |
0 |
0 |
0 |
0.000 |
21 |
27 |
|
[PO4]D:100 |
4 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
7645 |
60.4 |
-3.2 |
0.881 |
2 |
0 |
0 |
0.050 |
22 |
28 |
|
[BGC]B:99 |
9 |
1 |
303 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
9037 |
58.1 |
1.0 |
0.335 |
1 |
0 |
0 |
0.000 |
23 |
29 |
|
D |
10 |
4 |
7645 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
9037 |
56.5 |
0.1 |
0.742 |
0 |
0 |
0 |
0.000 |
24 |
30 |
|
[BGC]B:99 |
5 |
1 |
303 |
f |
D |
x,y,z |
1_555 |
14 |
4 |
7645 |
54.2 |
0.9 |
0.629 |
2 |
0 |
0 |
0.000 |
25 |
31 |
|
[NA]C:100 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
9037 |
52.9 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.089 |
26 |
32 |
|
[PO4]D:99 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
7645 |
52.0 |
-2.6 |
0.894 |
3 |
0 |
0 |
0.048 |
27 |
33 |
|
[PO4]D:100 |
4 |
1 |
188 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
9037 |
45.9 |
-2.5 |
0.845 |
2 |
0 |
0 |
0.011 |
28 |
34 |
|
[PO4]D:99 |
5 |
1 |
188 |
◊ |
C |
x,y,z |
1_555 |
9 |
2 |
9037 |
40.8 |
-1.9 |
0.841 |
1 |
0 |
0 |
0.008 |
29 |
35 |
|
[PO4]D:100 |
4 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
9327 |
40.3 |
-2.0 |
0.788 |
0 |
0 |
0 |
0.024 |
30 |
36 |
|
[EDO]A:99 |
2 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
9327 |
36.7 |
0.6 |
0.477 |
1 |
0 |
0 |
0.000 |
31 |
37 |
|
B |
5 |
2 |
9153 |
◊ |
[PO4]D:99 |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
1 |
188 |
36.3 |
-1.5 |
0.878 |
1 |
0 |
0 |
0.000 |
32 |
38 |
|
[BGC]B:99 |
5 |
1 |
303 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
9327 |
36.2 |
0.4 |
0.392 |
0 |
0 |
0 |
0.000 |
33 |
39 |
|
[PO4]D:99 |
4 |
1 |
188 |
f |
[BGC]B:99 |
x,y,z |
1_555 |
5 |
1 |
303 |
32.9 |
-1.4 |
0.413 |
1 |
0 |
0 |
0.022 |
34 |
40 |
|
A |
4 |
1 |
9327 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
2 |
1 |
9153 |
32.8 |
-0.5 |
0.347 |
0 |
0 |
0 |
0.000 |
35 |
41 |
|
B |
6 |
2 |
9153 |
◊ |
[EDO]A:99 |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
1 |
184 |
32.8 |
0.3 |
0.651 |
0 |
0 |
0 |
0.000 |
36 |
42 |
|
[EDO]A:99 |
3 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
7645 |
31.8 |
1.5 |
0.978 |
2 |
0 |
0 |
0.000 |
37 |
43 |
|
D |
8 |
4 |
7645 |
◊ |
[NA]C:100 |
-x+1/2,-y+1,z-1/2 |
2_564 |
1 |
1 |
125 |
30.1 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.000 |
38 |
44 |
|
[EDO]A:100 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
7645 |
29.1 |
0.5 |
0.787 |
1 |
0 |
0 |
0.000 |
39 |
45 |
|
[EDO]A:99 |
3 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
9037 |
27.7 |
0.3 |
0.657 |
0 |
0 |
0 |
0.000 |
40 |
46 |
|
[EDO]A:99 |
2 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
9153 |
23.8 |
0.6 |
0.546 |
0 |
0 |
0 |
0.000 |
41 |
47 |
|
[PO4]D:100 |
3 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
9153 |
23.1 |
-0.7 |
0.982 |
1 |
0 |
0 |
0.009 |
42 |
48 |
|
[EDO]D:101 |
4 |
1 |
184 |
f |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
2 |
9327 |
21.6 |
0.0 |
0.669 |
0 |
0 |
0 |
0.000 |
43 |
49 |
|
[PO4]C:99 |
2 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
9153 |
20.6 |
-1.5 |
0.620 |
0 |
0 |
0 |
0.017 |
44 |
50 |
|
[BGC]B:99 |
3 |
1 |
303 |
f |
[EDO]A:99 |
x,y,z |
1_555 |
3 |
1 |
184 |
18.1 |
0.2 |
0.259 |
0 |
0 |
0 |
0.000 |
45 |
51 |
|
A |
4 |
1 |
9327 |
◊ |
[NA]C:100 |
-x+1/2,-y+1,z-1/2 |
2_564 |
1 |
1 |
125 |
15.7 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
46 |
52 |
|
[PO4]D:99 |
4 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
9327 |
12.8 |
-0.8 |
0.683 |
0 |
0 |
0 |
0.010 |
47 |
53 |
|
A |
1 |
1 |
9327 |
◊ |
[PO4]C:99 |
-x+1/2,-y+1,z-1/2 |
2_564 |
2 |
1 |
188 |
11.1 |
-0.2 |
0.946 |
0 |
0 |
0 |
0.000 |
48 |
54 |
|
[EDO]D:101 |
1 |
1 |
184 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
2 |
7645 |
8.5 |
0.1 |
0.821 |
0 |
0 |
0 |
0.000 |
49 |
55 |
|
[EDO]B:101 |
2 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
9153 |
8.1 |
0.1 |
0.814 |
0 |
0 |
0 |
0.000 |
50 |
56 |
|
B |
2 |
1 |
9153 |
◊ |
[EDO]D:101 |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
184 |
7.3 |
0.2 |
0.762 |
0 |
0 |
0 |
0.000 |
51 |
57 |
|
D |
1 |
1 |
7645 |
◊ |
[PO4]C:99 |
-x+1/2,-y+1,z-1/2 |
2_564 |
2 |
1 |
188 |
7.0 |
-0.2 |
0.875 |
0 |
0 |
0 |
0.000 |
52 |
58 |
|
[PO4]D:99 |
1 |
1 |
188 |
f |
[EDO]A:99 |
x,y,z |
1_555 |
4 |
1 |
184 |
6.9 |
-0.1 |
0.894 |
0 |
0 |
0 |
0.002 |
53 |
59 |
|
B |
2 |
1 |
9153 |
◊ |
[BGC]B:99 |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
303 |
6.5 |
-0.3 |
0.328 |
0 |
0 |
0 |
0.000 |
54 |
60 |
|
[PO4]D:99 |
1 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
9153 |
1.9 |
-0.1 |
0.623 |
0 |
0 |
0 |
0.000 |
|