## |
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 |
|
B |
128 |
37 |
8532 |
◊ |
A |
x,y,z |
1_555 |
128 |
36 |
8787 |
1299.9 |
-12.7 |
0.101 |
16 |
6 |
0 |
0.956 |
2 |
|
D |
126 |
36 |
8721 |
◊ |
C |
x,y,z |
1_555 |
128 |
36 |
8737 |
1246.2 |
-11.5 |
0.093 |
15 |
6 |
0 |
0.956 |
Average: |
1273.1 |
-12.1 |
0.097 |
16 |
6 |
0 |
0.956 |
2 |
3 |
|
D |
48 |
19 |
8721 |
◊ |
B |
x,y,z-1 |
1_554 |
30 |
11 |
8532 |
354.9 |
2.1 |
0.762 |
3 |
4 |
0 |
0.000 |
4 |
|
D |
34 |
12 |
8721 |
◊ |
B |
x-1,y+1,z-1 |
1_464 |
45 |
18 |
8532 |
339.4 |
1.4 |
0.700 |
4 |
4 |
0 |
0.000 |
Average: |
347.2 |
1.8 |
0.731 |
4 |
4 |
0 |
0.000 |
3 |
5 |
|
A |
34 |
14 |
8787 |
◊ |
C |
x,y-1,z |
1_545 |
39 |
14 |
8737 |
334.4 |
-0.2 |
0.550 |
4 |
1 |
0 |
0.000 |
4 |
6 |
|
D |
35 |
14 |
8721 |
◊ |
C |
x-1,y,z |
1_455 |
38 |
11 |
8737 |
333.2 |
0.6 |
0.625 |
3 |
0 |
0 |
0.000 |
5 |
7 |
|
D |
29 |
10 |
8721 |
◊ |
A |
x-1,y+1,z |
1_465 |
35 |
9 |
8787 |
286.4 |
0.3 |
0.620 |
5 |
2 |
0 |
0.000 |
8 |
|
C |
28 |
8 |
8737 |
◊ |
B |
x,y,z |
1_555 |
26 |
9 |
8532 |
232.2 |
0.1 |
0.593 |
4 |
2 |
0 |
0.000 |
Average: |
259.3 |
0.2 |
0.606 |
5 |
2 |
0 |
0.000 |
6 |
9 |
|
A |
21 |
5 |
8787 |
◊ |
B |
x,y-1,z |
1_545 |
19 |
5 |
8532 |
183.1 |
-1.5 |
0.371 |
1 |
1 |
0 |
0.000 |
7 |
10 |
|
D |
30 |
8 |
8721 |
◊ |
B |
x-1,y,z-1 |
1_454 |
18 |
6 |
8532 |
169.2 |
-0.0 |
0.543 |
1 |
1 |
0 |
0.000 |
8 |
11 |
|
C |
20 |
7 |
8737 |
◊ |
A |
x-1,y+1,z |
1_465 |
12 |
5 |
8787 |
154.2 |
1.0 |
0.651 |
2 |
0 |
0 |
0.000 |
12 |
|
C |
11 |
4 |
8737 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
8787 |
140.3 |
0.3 |
0.555 |
2 |
0 |
0 |
0.000 |
Average: |
147.2 |
0.6 |
0.603 |
2 |
0 |
0 |
0.000 |
9 |
13 |
|
[EDO]C:203 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
14 |
8 |
8737 |
103.1 |
3.0 |
0.294 |
2 |
0 |
0 |
0.000 |
10 |
14 |
|
[EDO]A:203 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
15 |
8 |
8787 |
103.0 |
3.3 |
0.512 |
2 |
0 |
0 |
0.000 |
11 |
15 |
|
[EDO]D:201 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
16 |
7 |
8721 |
90.9 |
2.7 |
0.455 |
3 |
0 |
0 |
0.000 |
16 |
|
[EDO]A:201 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
8787 |
88.5 |
2.6 |
0.444 |
3 |
0 |
0 |
0.000 |
Average: |
89.7 |
2.7 |
0.450 |
3 |
0 |
0 |
0.000 |
12 |
17 |
|
[EDO]D:202 |
4 |
1 |
188 |
◊ |
D |
x,y,z |
1_555 |
16 |
8 |
8721 |
88.3 |
2.0 |
0.389 |
1 |
0 |
0 |
0.000 |
13 |
18 |
|
[EDO]C:201 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
13 |
7 |
8737 |
87.3 |
2.6 |
0.428 |
4 |
0 |
0 |
0.000 |
14 |
19 |
|
[EDO]A:202 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
8787 |
83.9 |
1.6 |
0.246 |
2 |
0 |
0 |
0.000 |
15 |
20 |
|
[EDO]C:202 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
14 |
7 |
8737 |
79.1 |
2.4 |
0.398 |
1 |
0 |
0 |
0.000 |
16 |
21 |
|
D |
11 |
3 |
8721 |
x |
D |
x-1,y,z |
1_455 |
7 |
1 |
8721 |
74.7 |
-0.3 |
0.534 |
1 |
0 |
0 |
0.000 |
17 |
22 |
|
B |
8 |
4 |
8532 |
◊ |
D |
x,y-1,z+1 |
1_546 |
8 |
3 |
8721 |
68.8 |
0.9 |
0.704 |
1 |
1 |
0 |
0.000 |
18 |
23 |
|
[EDO]C:202 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
8721 |
66.8 |
0.2 |
0.328 |
0 |
0 |
0 |
0.000 |
19 |
24 |
|
[EDO]D:202 |
4 |
1 |
188 |
f |
C |
x-1,y,z |
1_455 |
7 |
3 |
8737 |
65.8 |
1.5 |
0.699 |
1 |
0 |
0 |
0.000 |
20 |
25 |
|
[EDO]D:201 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
8737 |
53.0 |
1.2 |
0.691 |
2 |
0 |
0 |
0.000 |
26 |
|
[EDO]A:201 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
8532 |
52.6 |
1.1 |
0.687 |
2 |
0 |
0 |
0.000 |
Average: |
52.8 |
1.1 |
0.689 |
2 |
0 |
0 |
0.000 |
21 |
27 |
|
A |
5 |
2 |
8787 |
x |
A |
x-1,y,z |
1_455 |
8 |
3 |
8787 |
51.9 |
-1.0 |
0.258 |
0 |
0 |
0 |
0.000 |
22 |
28 |
|
[EDO]C:201 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
9 |
3 |
8721 |
50.7 |
1.2 |
0.688 |
2 |
0 |
0 |
0.000 |
23 |
29 |
|
D |
4 |
2 |
8721 |
◊ |
A |
x-1,y+1,z-1 |
1_464 |
5 |
2 |
8787 |
43.1 |
-0.5 |
0.317 |
0 |
0 |
0 |
0.000 |
30 |
|
C |
3 |
1 |
8737 |
◊ |
B |
x,y,z-1 |
1_554 |
3 |
1 |
8532 |
34.2 |
-0.4 |
0.340 |
0 |
0 |
0 |
0.000 |
Average: |
38.7 |
-0.5 |
0.329 |
0 |
0 |
0 |
0.000 |
24 |
31 |
|
[MG]D:203 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
8721 |
42.5 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.247 |
25 |
32 |
|
[EDO]A:202 |
3 |
1 |
186 |
f |
C |
x,y-1,z |
1_545 |
4 |
2 |
8737 |
34.4 |
0.5 |
0.483 |
0 |
0 |
0 |
0.000 |
26 |
33 |
|
[MG]D:203 |
1 |
1 |
98 |
◊ |
B |
x-1,y,z-1 |
1_454 |
8 |
3 |
8532 |
27.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.000 |
27 |
34 |
|
[EDO]A:203 |
2 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
4 |
1 |
8532 |
26.1 |
1.2 |
0.943 |
1 |
0 |
0 |
0.000 |
28 |
35 |
|
[MG]C:206 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
8532 |
24.7 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.145 |
29 |
36 |
|
[MG]B:201 |
1 |
1 |
98 |
f |
A |
x-1,y+1,z |
1_465 |
4 |
2 |
8787 |
24.2 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.632 |
37 |
|
[MG]C:205 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
8737 |
21.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.632 |
Average: |
22.7 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.632 |
30 |
38 |
|
[EDO]C:203 |
1 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
4 |
1 |
8721 |
23.6 |
0.9 |
0.928 |
1 |
0 |
0 |
0.000 |
31 |
39 |
|
[MG]C:206 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
8737 |
23.2 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
32 |
40 |
|
[MG]C:204 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
8737 |
20.4 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.089 |
33 |
41 |
|
[MG]C:204 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
8721 |
18.8 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.091 |
34 |
42 |
|
[MG]B:201 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
8532 |
18.2 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
|
D |
3 |
1 |
8721 |
◊ |
[MG]C:205 |
x-1,y+1,z |
1_465 |
1 |
1 |
98 |
17.9 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
18.1 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
44 |
|
C |
1 |
1 |
8737 |
x |
C |
x-1,y,z |
1_455 |
4 |
3 |
8737 |
17.7 |
0.2 |
0.694 |
0 |
0 |
0 |
0.000 |
36 |
45 |
|
B |
2 |
2 |
8532 |
◊ |
A |
x-1,y+1,z |
1_465 |
4 |
2 |
8787 |
10.4 |
0.3 |
0.725 |
0 |
0 |
0 |
0.000 |
46 |
|
D |
1 |
1 |
8721 |
◊ |
C |
x-1,y+1,z |
1_465 |
2 |
1 |
8737 |
5.9 |
0.2 |
0.753 |
0 |
0 |
0 |
0.000 |
Average: |
8.2 |
0.2 |
0.739 |
0 |
0 |
0 |
0.000 |
37 |
47 |
|
D |
1 |
1 |
8721 |
◊ |
[MG]C:204 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
5.1 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
|