## |
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 |
281 |
69 |
8891 |
◊ |
A |
x,y,z |
1_555 |
278 |
68 |
8963 |
2524.1 |
-30.9 |
0.436 |
48 |
11 |
0 |
0.194 |
2 |
2 |
|
A |
58 |
18 |
8963 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
44 |
7 |
8963 |
429.8 |
-2.8 |
0.717 |
4 |
3 |
0 |
0.000 |
3 |
3 |
|
B |
42 |
14 |
8891 |
x |
B |
-x,y-1/2,-z-1/2 |
3_544 |
40 |
11 |
8891 |
345.8 |
-3.1 |
0.580 |
4 |
0 |
0 |
0.000 |
4 |
4 |
|
B |
36 |
9 |
8891 |
◊ |
A |
x,y-1,z |
1_545 |
36 |
9 |
8963 |
326.0 |
-5.4 |
0.324 |
0 |
0 |
0 |
0.000 |
5 |
5 |
|
B |
22 |
6 |
8891 |
◊ |
A |
x-1,y,z |
1_455 |
22 |
7 |
8963 |
203.1 |
0.2 |
0.783 |
4 |
8 |
0 |
0.000 |
6 |
6 |
|
B |
15 |
3 |
8891 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
16 |
3 |
8963 |
150.6 |
1.5 |
0.863 |
1 |
0 |
0 |
0.000 |
7 |
7 |
|
A |
15 |
5 |
8963 |
x |
A |
x-1,y,z |
1_455 |
13 |
4 |
8963 |
104.1 |
-1.5 |
0.488 |
0 |
0 |
0 |
0.000 |
8 |
8 |
|
[FCN]A:203 |
8 |
1 |
253 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
8963 |
98.7 |
-1.6 |
0.568 |
6 |
0 |
0 |
0.029 |
9 |
|
[FCN]A:205 |
8 |
1 |
255 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
8891 |
88.0 |
-1.6 |
0.567 |
5 |
0 |
0 |
0.029 |
Average: |
93.3 |
-1.6 |
0.567 |
6 |
0 |
0 |
0.029 |
9 |
10 |
|
[PEG]B:201 |
7 |
1 |
262 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
8891 |
94.1 |
1.7 |
0.275 |
2 |
0 |
0 |
0.000 |
10 |
11 |
|
[K]A:202 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
8963 |
93.1 |
-90.6 |
0.000 |
0 |
0 |
0 |
0.626 |
12 |
|
[K]B:202 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
6 |
6 |
8891 |
86.2 |
-83.0 |
0.000 |
0 |
0 |
0 |
0.626 |
Average: |
89.6 |
-86.8 |
0.000 |
0 |
0 |
0 |
0.626 |
11 |
13 |
|
[EDO]B:203 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
8891 |
79.4 |
1.6 |
0.263 |
0 |
0 |
0 |
0.000 |
12 |
14 |
|
[EDO]B:203 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
8963 |
77.5 |
1.2 |
0.695 |
0 |
0 |
0 |
0.000 |
13 |
15 |
|
[PEG]B:201 |
6 |
1 |
262 |
◊ |
A |
x,y,z |
1_555 |
14 |
8 |
8963 |
74.6 |
0.6 |
0.223 |
1 |
0 |
0 |
0.000 |
14 |
16 |
|
[FCN]A:203 |
6 |
1 |
253 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
8891 |
72.2 |
2.0 |
0.821 |
3 |
0 |
0 |
0.000 |
17 |
|
[FCN]A:205 |
6 |
1 |
255 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
8963 |
63.4 |
1.7 |
0.826 |
2 |
0 |
0 |
0.000 |
Average: |
67.8 |
1.8 |
0.823 |
3 |
0 |
0 |
0.000 |
15 |
18 |
|
[PEG]B:201 |
5 |
1 |
262 |
cf |
[FCN]A:205 |
x,y,z |
1_555 |
6 |
1 |
255 |
52.1 |
1.1 |
0.289 |
0 |
0 |
0 |
0.000 |
16 |
19 |
|
[MN]A:201 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
8963 |
36.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.016 |
20 |
|
[MN]A:204 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
8891 |
33.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.016 |
Average: |
34.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.016 |
17 |
21 |
|
[FCN]A:203 |
5 |
1 |
253 |
f |
[MN]A:201 |
x,y,z |
1_555 |
1 |
1 |
123 |
31.3 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.016 |
22 |
|
[FCN]A:205 |
4 |
1 |
255 |
f |
[MN]A:204 |
x,y,z |
1_555 |
1 |
1 |
123 |
27.6 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.016 |
Average: |
29.4 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.016 |
18 |
23 |
|
[MN]A:201 |
1 |
1 |
123 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
8891 |
28.3 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.008 |
24 |
|
[MN]A:204 |
1 |
1 |
123 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
8963 |
27.2 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.008 |
Average: |
27.8 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.008 |
19 |
25 |
|
[FCN]A:203 |
4 |
1 |
253 |
f |
[K]A:202 |
x,y,z |
1_555 |
1 |
1 |
216 |
23.8 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.095 |
26 |
|
[FCN]A:205 |
5 |
1 |
255 |
f |
[K]B:202 |
x,y,z |
1_555 |
1 |
1 |
216 |
22.5 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.095 |
Average: |
23.1 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.095 |
20 |
27 |
|
A |
3 |
1 |
8963 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
3 |
2 |
8891 |
23.4 |
0.3 |
0.724 |
0 |
0 |
0 |
0.000 |
21 |
28 |
|
[K]B:202 |
1 |
1 |
216 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
2 |
8891 |
17.1 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.000 |
22 |
29 |
|
B |
3 |
1 |
8891 |
x |
B |
x-1,y,z |
1_455 |
2 |
1 |
8891 |
15.3 |
-0.4 |
0.415 |
0 |
0 |
0 |
0.000 |
23 |
30 |
|
[PEG]B:201 |
1 |
1 |
262 |
f |
[MN]A:204 |
x,y,z |
1_555 |
1 |
1 |
123 |
10.1 |
0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
24 |
31 |
|
B |
1 |
1 |
8891 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
8963 |
7.1 |
0.2 |
0.813 |
0 |
0 |
0 |
0.000 |
25 |
32 |
|
[K]B:202 |
1 |
1 |
216 |
f |
[MN]A:204 |
x,y,z |
1_555 |
1 |
1 |
123 |
5.2 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.012 |
26 |
33 |
|
[K]A:202 |
1 |
1 |
216 |
f |
[MN]A:201 |
x,y,z |
1_555 |
1 |
1 |
123 |
4.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.010 |
27 |
34 |
|
[K]B:202 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
8963 |
4.3 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.018 |
35 |
|
[K]A:202 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
8891 |
4.3 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.018 |
Average: |
4.3 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.018 |
|