## |
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 |
313 |
78 |
11114 |
◊ |
A |
x,y,z |
1_555 |
308 |
80 |
11098 |
3064.1 |
-47.4 |
0.036 |
30 |
13 |
0 |
0.595 |
2 |
|
D |
300 |
79 |
11120 |
◊ |
C |
x,y,z |
1_555 |
295 |
74 |
10994 |
3005.9 |
-47.8 |
0.070 |
25 |
9 |
0 |
0.595 |
Average: |
3035.0 |
-47.6 |
0.053 |
28 |
11 |
0 |
0.595 |
2 |
3 |
|
D |
71 |
16 |
11120 |
◊ |
B |
x-1,y,z |
1_455 |
73 |
18 |
11114 |
532.3 |
-3.7 |
0.729 |
4 |
0 |
0 |
0.000 |
3 |
4 |
|
C |
34 |
10 |
10994 |
◊ |
A |
x-1,y+1,z |
1_465 |
47 |
15 |
11098 |
389.7 |
-4.3 |
0.398 |
2 |
0 |
0 |
0.000 |
4 |
5 |
|
D |
37 |
7 |
11120 |
◊ |
A |
x,y,z |
1_555 |
33 |
8 |
11098 |
295.5 |
-3.1 |
0.533 |
2 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
21 |
8 |
11114 |
◊ |
D |
x,y-1,z+1 |
1_546 |
22 |
8 |
11120 |
239.4 |
-1.3 |
0.614 |
2 |
4 |
0 |
0.000 |
6 |
7 |
|
[K1P]B:305 |
11 |
1 |
365 |
◊ |
B |
x,y,z |
1_555 |
21 |
7 |
11114 |
146.7 |
-0.3 |
0.327 |
0 |
0 |
0 |
0.003 |
7 |
8 |
|
[K1P]D:303 |
13 |
1 |
366 |
◊ |
C |
x,y,z |
1_555 |
21 |
6 |
10994 |
141.1 |
-0.3 |
0.311 |
0 |
0 |
0 |
0.003 |
8 |
9 |
|
[K1P]B:304 |
12 |
1 |
363 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
11098 |
141.1 |
-0.4 |
0.291 |
0 |
0 |
0 |
0.005 |
10 |
|
[K1P]C:304 |
11 |
1 |
367 |
◊ |
D |
x,y,z |
1_555 |
18 |
6 |
11120 |
136.4 |
-0.6 |
0.302 |
0 |
0 |
0 |
0.005 |
Average: |
138.8 |
-0.5 |
0.297 |
0 |
0 |
0 |
0.005 |
9 |
11 |
|
D |
9 |
2 |
11120 |
◊ |
A |
x-1,y,z |
1_455 |
14 |
9 |
11098 |
130.0 |
-0.9 |
0.263 |
1 |
0 |
0 |
0.000 |
10 |
12 |
|
[K1P]B:305 |
11 |
1 |
365 |
f |
A |
x,y,z |
1_555 |
19 |
5 |
11098 |
124.9 |
-1.4 |
0.251 |
1 |
0 |
0 |
0.016 |
11 |
13 |
|
[K1P]B:304 |
11 |
1 |
363 |
f |
B |
x,y,z |
1_555 |
19 |
5 |
11114 |
122.5 |
-1.3 |
0.253 |
1 |
0 |
0 |
0.017 |
14 |
|
[K1P]C:304 |
11 |
1 |
367 |
f |
C |
x,y,z |
1_555 |
20 |
5 |
10994 |
120.8 |
-1.3 |
0.266 |
1 |
0 |
0 |
0.017 |
Average: |
121.6 |
-1.3 |
0.260 |
1 |
0 |
0 |
0.017 |
12 |
15 |
|
[K1P]D:303 |
11 |
1 |
366 |
f |
D |
x,y,z |
1_555 |
18 |
5 |
11120 |
122.5 |
-1.7 |
0.244 |
1 |
0 |
0 |
0.021 |
13 |
16 |
|
C |
13 |
9 |
10994 |
◊ |
B |
x-1,y,z |
1_455 |
9 |
2 |
11114 |
121.5 |
-1.2 |
0.241 |
1 |
0 |
0 |
0.000 |
14 |
17 |
|
D |
12 |
4 |
11120 |
◊ |
A |
x-1,y+1,z-1 |
1_464 |
13 |
7 |
11098 |
107.2 |
-2.1 |
0.357 |
1 |
0 |
0 |
0.000 |
15 |
18 |
|
B |
14 |
4 |
11114 |
◊ |
A |
x-1,y,z |
1_455 |
14 |
4 |
11098 |
105.5 |
-1.5 |
0.467 |
1 |
0 |
0 |
0.000 |
16 |
19 |
|
[EDO]C:301 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
10994 |
99.9 |
3.2 |
0.331 |
3 |
0 |
0 |
0.000 |
17 |
20 |
|
[EDO]B:301 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
11114 |
89.2 |
2.2 |
0.306 |
3 |
0 |
0 |
0.000 |
18 |
21 |
|
[CL]A:303 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
9 |
11114 |
59.3 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.061 |
19 |
22 |
|
[MG]B:302 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
11114 |
51.3 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.207 |
23 |
|
[MG]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
11098 |
51.2 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.207 |
24 |
|
[MG]C:303 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
10994 |
48.6 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.207 |
25 |
|
[MG]D:301 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
11120 |
47.7 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.207 |
26 |
|
[MG]D:302 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
6 |
11120 |
46.8 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.207 |
Average: |
49.1 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.207 |
20 |
27 |
|
B |
7 |
1 |
11114 |
x |
B |
x-1,y,z |
1_455 |
8 |
2 |
11114 |
50.6 |
-0.4 |
0.549 |
0 |
0 |
0 |
0.000 |
21 |
28 |
|
[MG]A:302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
11098 |
46.2 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.136 |
29 |
|
[MG]B:303 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
11114 |
46.1 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.136 |
30 |
|
[MG]C:302 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
10994 |
45.8 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.136 |
Average: |
46.0 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.136 |
22 |
31 |
|
A |
6 |
2 |
11098 |
◊ |
B |
x,y-1,z |
1_545 |
2 |
2 |
11114 |
38.6 |
-0.8 |
0.207 |
0 |
0 |
0 |
0.000 |
23 |
32 |
|
[CL]A:303 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
8 |
1 |
11098 |
37.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.040 |
24 |
33 |
|
D |
7 |
3 |
11120 |
x |
D |
x,y-1,z |
1_545 |
3 |
1 |
11120 |
36.8 |
-0.4 |
0.567 |
0 |
0 |
0 |
0.000 |
25 |
34 |
|
D |
3 |
3 |
11120 |
◊ |
C |
x,y-1,z |
1_545 |
8 |
4 |
10994 |
32.7 |
-0.5 |
0.485 |
0 |
0 |
0 |
0.000 |
26 |
35 |
|
[MG]D:302 |
1 |
1 |
98 |
f |
[MG]D:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.1 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.054 |
27 |
36 |
|
D |
2 |
1 |
11120 |
◊ |
B |
x,y,z-1 |
1_554 |
5 |
2 |
11114 |
25.4 |
-0.7 |
0.317 |
0 |
0 |
0 |
0.000 |
28 |
37 |
|
[MG]C:303 |
1 |
1 |
98 |
f |
[MG]C:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.4 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.050 |
29 |
38 |
|
[MG]A:302 |
1 |
1 |
98 |
f |
[MG]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.6 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.032 |
30 |
39 |
|
[MG]B:303 |
1 |
1 |
98 |
f |
[MG]B:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.031 |
31 |
40 |
|
C |
2 |
2 |
10994 |
◊ |
B |
x,y,z-1 |
1_554 |
4 |
2 |
11114 |
16.2 |
-0.4 |
0.414 |
0 |
0 |
0 |
0.000 |
32 |
41 |
|
C |
2 |
1 |
10994 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
11098 |
6.4 |
-0.0 |
0.594 |
0 |
0 |
0 |
0.000 |
33 |
42 |
|
[K1P]D:303 |
1 |
1 |
366 |
◊ |
[MG]C:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.0 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.003 |
34 |
43 |
|
A |
2 |
1 |
11098 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
11114 |
2.1 |
-0.0 |
0.577 |
0 |
0 |
0 |
0.000 |
|