## |
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 |
128 |
36 |
6929 |
◊ |
C |
x,y,z |
1_555 |
123 |
32 |
6399 |
1182.2 |
-16.6 |
0.176 |
12 |
0 |
0 |
0.233 |
2 |
|
B |
125 |
31 |
6466 |
◊ |
A |
x,y,z |
1_555 |
125 |
34 |
6929 |
1175.0 |
-16.4 |
0.183 |
13 |
0 |
0 |
0.233 |
Average: |
1178.6 |
-16.5 |
0.180 |
13 |
0 |
0 |
0.233 |
2 |
3 |
|
D |
70 |
23 |
6929 |
◊ |
A |
x,y,z |
1_555 |
70 |
22 |
6929 |
634.7 |
-4.1 |
0.604 |
9 |
3 |
0 |
0.070 |
4 |
|
C |
66 |
19 |
6399 |
◊ |
B |
x,y,z |
1_555 |
64 |
19 |
6466 |
566.7 |
-5.4 |
0.488 |
6 |
2 |
0 |
0.070 |
Average: |
600.7 |
-4.8 |
0.546 |
8 |
3 |
0 |
0.070 |
3 |
5 |
|
C |
43 |
13 |
6399 |
◊ |
A |
x,y,z |
1_555 |
40 |
13 |
6929 |
352.8 |
-7.8 |
0.104 |
0 |
0 |
0 |
0.087 |
6 |
|
D |
38 |
13 |
6929 |
◊ |
B |
x,y,z |
1_555 |
41 |
13 |
6466 |
351.7 |
-7.8 |
0.087 |
0 |
0 |
0 |
0.087 |
Average: |
352.2 |
-7.8 |
0.096 |
0 |
0 |
0 |
0.087 |
4 |
7 |
|
C |
30 |
10 |
6399 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
31 |
10 |
6466 |
220.0 |
0.8 |
0.832 |
4 |
3 |
0 |
0.000 |
5 |
8 |
|
D |
28 |
9 |
6929 |
x |
D |
-x-1,y-1/2,-z-1 |
2_444 |
26 |
6 |
6929 |
210.7 |
1.8 |
0.863 |
5 |
5 |
0 |
0.000 |
9 |
|
A |
25 |
6 |
6929 |
x |
A |
-x,y-1/2,-z-1 |
2_544 |
28 |
9 |
6929 |
209.0 |
1.8 |
0.867 |
5 |
5 |
0 |
0.000 |
Average: |
209.8 |
1.8 |
0.865 |
5 |
5 |
0 |
0.000 |
6 |
10 |
|
D |
12 |
4 |
6929 |
◊ |
A |
-x,y-1/2,-z-1 |
2_544 |
19 |
7 |
6929 |
167.4 |
-2.5 |
0.329 |
1 |
0 |
0 |
0.000 |
11 |
|
D |
20 |
8 |
6929 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
13 |
4 |
6929 |
166.2 |
-2.5 |
0.346 |
0 |
0 |
0 |
0.000 |
Average: |
166.8 |
-2.5 |
0.337 |
1 |
0 |
0 |
0.000 |
7 |
12 |
|
[MRD]B:133 |
6 |
1 |
275 |
◊ |
B |
x,y,z |
1_555 |
21 |
8 |
6466 |
134.8 |
1.0 |
0.342 |
2 |
0 |
0 |
0.000 |
13 |
|
[MRD]C:132 |
6 |
1 |
276 |
◊ |
C |
x,y,z |
1_555 |
21 |
8 |
6399 |
134.6 |
1.0 |
0.344 |
2 |
0 |
0 |
0.000 |
14 |
|
[MRD]A:132 |
7 |
1 |
275 |
◊ |
A |
x,y,z |
1_555 |
22 |
8 |
6929 |
128.5 |
0.7 |
0.354 |
2 |
0 |
0 |
0.000 |
Average: |
132.6 |
0.9 |
0.347 |
2 |
0 |
0 |
0.001 |
8 |
15 |
|
D |
12 |
2 |
6929 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
13 |
5 |
6466 |
130.6 |
-1.0 |
0.523 |
2 |
0 |
0 |
0.000 |
16 |
|
C |
13 |
5 |
6399 |
◊ |
A |
-x,y-1/2,-z-1 |
2_544 |
12 |
2 |
6929 |
128.7 |
-1.0 |
0.528 |
2 |
0 |
0 |
0.000 |
Average: |
129.7 |
-1.0 |
0.525 |
2 |
0 |
0 |
0.000 |
9 |
17 |
|
[MRD]D:132 |
7 |
1 |
277 |
◊ |
D |
x,y,z |
1_555 |
20 |
8 |
6929 |
126.9 |
0.4 |
0.329 |
2 |
0 |
0 |
0.002 |
10 |
18 |
|
[MRD]C:132 |
7 |
1 |
276 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
6929 |
76.7 |
-0.2 |
0.255 |
2 |
0 |
0 |
0.024 |
19 |
|
[MRD]B:133 |
7 |
1 |
275 |
f |
D |
x,y,z |
1_555 |
13 |
4 |
6929 |
75.9 |
-0.2 |
0.254 |
2 |
0 |
0 |
0.024 |
20 |
|
[MRD]A:132 |
6 |
1 |
275 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
6399 |
66.6 |
-0.1 |
0.288 |
2 |
0 |
0 |
0.024 |
Average: |
73.1 |
-0.2 |
0.266 |
2 |
0 |
0 |
0.024 |
11 |
21 |
|
[PO4]B:132 |
4 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
6466 |
67.3 |
-4.4 |
0.649 |
1 |
0 |
0 |
0.053 |
12 |
22 |
|
[MRD]D:132 |
5 |
1 |
277 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
6466 |
67.3 |
0.6 |
0.442 |
2 |
0 |
0 |
0.002 |
13 |
23 |
|
C |
9 |
4 |
6399 |
◊ |
[PO4]B:132 |
-x,y-1/2,-z |
2_545 |
5 |
1 |
189 |
64.6 |
-3.0 |
0.910 |
2 |
0 |
0 |
0.000 |
14 |
24 |
|
[MRD]D:132 |
3 |
1 |
277 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
6929 |
48.0 |
-0.6 |
0.226 |
0 |
0 |
0 |
0.007 |
15 |
25 |
|
[ZN]C:131 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
4 |
6399 |
46.2 |
-35.5 |
0.000 |
0 |
0 |
0 |
0.793 |
26 |
|
[ZN]B:131 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
6466 |
45.9 |
-35.3 |
0.000 |
0 |
0 |
0 |
0.793 |
27 |
|
[ZN]D:131 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
6929 |
45.8 |
-35.1 |
0.000 |
0 |
0 |
0 |
0.793 |
28 |
|
[ZN]A:131 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
6929 |
45.5 |
-34.9 |
0.000 |
0 |
0 |
0 |
0.793 |
Average: |
45.9 |
-35.2 |
0.000 |
0 |
0 |
0 |
0.793 |
16 |
29 |
|
[MRD]A:132 |
4 |
1 |
275 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
6929 |
45.8 |
0.7 |
0.275 |
0 |
0 |
0 |
0.000 |
30 |
|
[MRD]B:133 |
4 |
1 |
275 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
6399 |
29.8 |
-0.0 |
0.189 |
0 |
0 |
0 |
0.000 |
31 |
|
[MRD]C:132 |
4 |
1 |
276 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
6466 |
28.3 |
0.0 |
0.201 |
0 |
0 |
0 |
0.000 |
Average: |
34.7 |
0.2 |
0.222 |
0 |
0 |
0 |
0.000 |
17 |
32 |
|
D |
5 |
2 |
6929 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
2 |
6929 |
30.2 |
-0.7 |
0.441 |
0 |
0 |
0 |
0.000 |
18 |
33 |
|
[ZN]A:131 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
6399 |
9.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.087 |
34 |
|
[ZN]D:131 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
6466 |
9.0 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.087 |
35 |
|
[ZN]B:131 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
6929 |
8.8 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.087 |
36 |
|
[ZN]C:131 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
6929 |
8.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.087 |
Average: |
8.8 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.087 |
19 |
37 |
|
[MRD]A:132 |
1 |
1 |
275 |
◊ |
[ZN]A:131 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.2 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|