## |
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 |
144 |
37 |
8945 |
◊ |
C |
x,y,z |
1_555 |
146 |
37 |
8307 |
1371.6 |
-9.4 |
0.336 |
15 |
7 |
0 |
0.604 |
2 |
|
B |
143 |
38 |
8712 |
◊ |
A |
x,y,z |
1_555 |
135 |
35 |
8061 |
1364.1 |
-9.4 |
0.359 |
18 |
15 |
0 |
0.604 |
Average: |
1367.8 |
-9.4 |
0.348 |
17 |
11 |
0 |
0.604 |
2 |
3 |
|
D |
40 |
14 |
8945 |
◊ |
C |
-x,y-1/2,-z-1 |
2_544 |
51 |
16 |
8307 |
417.5 |
-4.5 |
0.197 |
3 |
0 |
0 |
0.000 |
4 |
|
A |
43 |
14 |
8061 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
35 |
12 |
8712 |
324.3 |
-1.4 |
0.414 |
4 |
0 |
0 |
0.000 |
Average: |
370.9 |
-3.0 |
0.305 |
4 |
0 |
0 |
0.000 |
3 |
5 |
|
D |
46 |
13 |
8945 |
◊ |
A |
x,y,z-1 |
1_554 |
41 |
10 |
8061 |
394.9 |
-1.7 |
0.520 |
6 |
3 |
0 |
0.000 |
6 |
|
C |
47 |
11 |
8307 |
◊ |
B |
x,y,z |
1_555 |
44 |
14 |
8712 |
390.2 |
-2.6 |
0.397 |
3 |
4 |
0 |
0.000 |
7 |
|
D |
34 |
9 |
8945 |
◊ |
A |
x-1,y,z-1 |
1_454 |
42 |
14 |
8061 |
373.8 |
-1.7 |
0.504 |
4 |
4 |
0 |
0.000 |
8 |
|
C |
43 |
13 |
8307 |
◊ |
B |
x-1,y,z |
1_455 |
39 |
9 |
8712 |
359.0 |
-2.0 |
0.488 |
5 |
3 |
0 |
0.000 |
Average: |
379.5 |
-2.0 |
0.477 |
5 |
4 |
0 |
0.000 |
4 |
9 |
|
D |
32 |
8 |
8945 |
x |
D |
-x,y-1/2,-z-1 |
2_544 |
42 |
11 |
8945 |
360.3 |
-6.5 |
0.028 |
1 |
0 |
0 |
0.000 |
10 |
|
B |
30 |
12 |
8712 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
19 |
6 |
8712 |
214.6 |
-3.8 |
0.089 |
1 |
0 |
0 |
0.000 |
Average: |
287.4 |
-5.1 |
0.058 |
1 |
0 |
0 |
0.000 |
5 |
11 |
|
[EDO]B:174 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
20 |
10 |
8712 |
117.0 |
3.8 |
0.495 |
4 |
0 |
0 |
0.000 |
6 |
12 |
|
[EDO]B:173 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
20 |
8 |
8712 |
107.8 |
2.8 |
0.466 |
2 |
0 |
0 |
0.000 |
7 |
13 |
|
[EDO]D:172 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
16 |
8 |
8945 |
107.4 |
2.7 |
0.367 |
0 |
0 |
0 |
0.000 |
8 |
14 |
|
[EDO]A:170 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
8061 |
107.2 |
3.2 |
0.534 |
1 |
0 |
0 |
0.000 |
9 |
15 |
|
[EDO]B:3 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
8712 |
101.4 |
2.5 |
0.381 |
4 |
0 |
0 |
0.000 |
10 |
16 |
|
[EDO]A:171 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
8061 |
89.0 |
2.4 |
0.470 |
2 |
0 |
0 |
0.000 |
11 |
17 |
|
[EDO]B:176 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
8712 |
83.7 |
3.2 |
0.324 |
1 |
0 |
0 |
0.000 |
12 |
18 |
|
[EDO]C:170 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
12 |
6 |
8307 |
83.1 |
2.4 |
0.264 |
1 |
0 |
0 |
0.000 |
13 |
19 |
|
[EDO]A:2 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
8061 |
80.5 |
2.5 |
0.515 |
1 |
0 |
0 |
0.000 |
14 |
20 |
|
C |
11 |
3 |
8307 |
◊ |
[EDO]B:170 |
x-1,y,z |
1_455 |
4 |
1 |
183 |
79.2 |
2.9 |
0.303 |
1 |
0 |
0 |
0.000 |
21 |
|
[EDO]D:171 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
14 |
3 |
8945 |
77.9 |
2.9 |
0.307 |
0 |
0 |
0 |
0.000 |
Average: |
78.5 |
2.9 |
0.305 |
1 |
0 |
0 |
0.000 |
15 |
22 |
|
[EDO]A:2 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
19 |
5 |
8712 |
77.0 |
1.2 |
0.234 |
1 |
0 |
0 |
0.000 |
16 |
23 |
|
[EDO]C:172 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
14 |
5 |
8307 |
71.6 |
1.3 |
0.201 |
0 |
0 |
0 |
0.000 |
17 |
24 |
|
[EDO]B:172 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
8712 |
66.6 |
2.2 |
0.887 |
2 |
0 |
0 |
0.000 |
18 |
25 |
|
[EDO]C:171 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
8307 |
65.7 |
1.5 |
0.814 |
0 |
0 |
0 |
0.000 |
19 |
26 |
|
[EDO]D:171 |
4 |
1 |
184 |
f |
A |
x,y,z-1 |
1_554 |
6 |
3 |
8061 |
64.3 |
1.2 |
0.809 |
2 |
0 |
0 |
0.003 |
27 |
|
[EDO]B:170 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
8712 |
59.0 |
1.0 |
0.815 |
3 |
0 |
0 |
0.003 |
Average: |
61.7 |
1.1 |
0.812 |
3 |
0 |
0 |
0.003 |
20 |
28 |
|
[NA]B:2 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
7 |
8712 |
63.8 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.835 |
29 |
|
[NA]C:3 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
8307 |
63.6 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.835 |
30 |
|
[NA]D:170 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
8945 |
63.1 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.835 |
31 |
|
[NA]A:1 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
5 |
5 |
8061 |
63.1 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.835 |
Average: |
63.4 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.835 |
21 |
32 |
|
C |
6 |
2 |
8307 |
◊ |
D |
-x,y-1/2,-z-1 |
2_544 |
8 |
2 |
8945 |
60.7 |
0.9 |
0.790 |
1 |
0 |
0 |
0.000 |
33 |
|
B |
5 |
3 |
8712 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
2 |
2 |
8061 |
37.7 |
-0.5 |
0.231 |
0 |
0 |
0 |
0.000 |
Average: |
49.2 |
0.2 |
0.511 |
1 |
0 |
0 |
0.000 |
22 |
34 |
|
[EDO]C:172 |
3 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
8945 |
52.7 |
0.5 |
0.604 |
0 |
0 |
0 |
0.000 |
23 |
35 |
|
[EDO]B:176 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
8061 |
50.0 |
1.6 |
0.902 |
3 |
0 |
0 |
0.000 |
24 |
36 |
|
[EDO]A:171 |
4 |
1 |
185 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
6 |
2 |
8712 |
46.4 |
0.8 |
0.626 |
1 |
0 |
0 |
0.000 |
25 |
37 |
|
[EDO]A:172 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
8061 |
38.6 |
1.0 |
0.817 |
1 |
0 |
0 |
0.000 |
26 |
38 |
|
C |
6 |
2 |
8307 |
f |
[EDO]B:175 |
x-1,y,z |
1_455 |
2 |
1 |
183 |
34.0 |
1.0 |
0.865 |
0 |
0 |
0 |
0.000 |
27 |
39 |
|
C |
4 |
1 |
8307 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
4 |
2 |
8061 |
31.5 |
-0.3 |
0.469 |
0 |
0 |
0 |
0.000 |
28 |
40 |
|
[EDO]B:175 |
2 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
8712 |
30.4 |
1.2 |
0.878 |
0 |
0 |
0 |
0.000 |
29 |
41 |
|
D |
5 |
1 |
8945 |
f |
[EDO]A:172 |
x,y,z-1 |
1_554 |
2 |
1 |
184 |
28.8 |
1.0 |
0.937 |
1 |
0 |
0 |
0.000 |
30 |
42 |
|
[EDO]B:171 |
2 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
8712 |
27.6 |
0.8 |
0.955 |
1 |
0 |
0 |
0.000 |
31 |
43 |
|
[EDO]C:171 |
2 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
8945 |
25.6 |
0.6 |
0.805 |
0 |
0 |
0 |
0.000 |
32 |
44 |
|
[EDO]B:171 |
2 |
1 |
183 |
◊ |
A |
x,y,z-1 |
1_554 |
5 |
3 |
8061 |
19.5 |
0.5 |
0.839 |
0 |
0 |
0 |
0.000 |
33 |
45 |
|
[EDO]A:171 |
2 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
8712 |
8.5 |
0.2 |
0.854 |
0 |
0 |
0 |
0.000 |
34 |
46 |
|
[EDO]B:173 |
1 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
8307 |
7.3 |
0.1 |
0.767 |
0 |
0 |
0 |
0.000 |
35 |
47 |
|
[EDO]C:171 |
1 |
1 |
184 |
◊ |
[EDO]B:171 |
x,y,z |
1_555 |
2 |
1 |
183 |
7.3 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
36 |
48 |
|
[EDO]C:170 |
2 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
2 |
2 |
8712 |
7.1 |
0.2 |
0.859 |
0 |
0 |
0 |
0.000 |
37 |
49 |
|
[EDO]B:173 |
1 |
1 |
185 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
8061 |
6.2 |
0.1 |
0.547 |
0 |
0 |
0 |
0.000 |
38 |
50 |
|
D |
3 |
1 |
8945 |
◊ |
C |
x,y,z-1 |
1_554 |
1 |
1 |
8307 |
5.3 |
0.2 |
0.757 |
0 |
0 |
0 |
0.000 |
39 |
51 |
|
[EDO]B:171 |
1 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
8307 |
2.2 |
0.1 |
0.870 |
0 |
0 |
0 |
0.000 |
40 |
52 |
|
[EDO]C:171 |
1 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
8712 |
2.2 |
0.0 |
0.661 |
0 |
0 |
0 |
0.000 |
|