## |
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 |
190 |
45 |
10067 |
◊ |
A |
x,y,z |
1_555 |
182 |
50 |
9351 |
1694.4 |
-29.2 |
0.034 |
5 |
6 |
0 |
0.321 |
2 |
|
C |
185 |
48 |
9439 |
◊ |
B |
x,y,z |
1_555 |
180 |
47 |
9358 |
1680.4 |
-30.1 |
0.021 |
7 |
5 |
0 |
0.321 |
Average: |
1687.4 |
-29.6 |
0.027 |
6 |
6 |
0 |
0.321 |
2 |
3 |
|
C |
121 |
33 |
9439 |
◊ |
A |
x,y,z |
1_555 |
119 |
34 |
9351 |
1112.4 |
-9.1 |
0.498 |
23 |
0 |
0 |
0.341 |
4 |
|
D |
117 |
33 |
10067 |
◊ |
B |
x,y,z |
1_555 |
113 |
33 |
9358 |
1108.1 |
-9.8 |
0.431 |
21 |
0 |
0 |
0.341 |
Average: |
1110.3 |
-9.5 |
0.464 |
22 |
0 |
0 |
0.341 |
3 |
5 |
|
B |
75 |
22 |
9358 |
◊ |
A |
x,y,z |
1_555 |
78 |
22 |
9351 |
615.9 |
-7.2 |
0.378 |
10 |
0 |
0 |
0.087 |
6 |
|
D |
72 |
22 |
10067 |
◊ |
C |
x,y,z |
1_555 |
73 |
22 |
9439 |
609.8 |
-7.4 |
0.320 |
10 |
0 |
0 |
0.087 |
Average: |
612.8 |
-7.3 |
0.349 |
10 |
0 |
0 |
0.087 |
4 |
7 |
|
D |
46 |
15 |
10067 |
x |
D |
-x,y-1/2,-z+1/2 |
3_545 |
47 |
13 |
10067 |
363.9 |
-0.9 |
0.720 |
1 |
1 |
0 |
0.000 |
5 |
8 |
|
D |
36 |
14 |
10067 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
29 |
7 |
9351 |
300.2 |
-3.6 |
0.339 |
6 |
0 |
0 |
0.000 |
6 |
9 |
|
B |
23 |
9 |
9358 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
38 |
13 |
9351 |
253.8 |
0.3 |
0.754 |
2 |
0 |
0 |
0.000 |
7 |
10 |
|
B |
29 |
9 |
9358 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
23 |
9 |
10067 |
227.6 |
-1.2 |
0.608 |
2 |
2 |
0 |
0.000 |
8 |
11 |
|
[PG4]A:203 |
13 |
1 |
412 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
9351 |
193.8 |
5.3 |
0.377 |
4 |
0 |
0 |
0.000 |
9 |
12 |
|
[PG4]C:202 |
13 |
1 |
411 |
f |
C |
x,y,z |
1_555 |
20 |
8 |
9439 |
179.5 |
5.3 |
0.390 |
2 |
0 |
0 |
0.000 |
10 |
13 |
|
[M7P]C:201 |
15 |
1 |
410 |
◊ |
C |
x,y,z |
1_555 |
27 |
11 |
9439 |
175.2 |
1.8 |
0.222 |
9 |
0 |
0 |
0.043 |
14 |
|
[M7P]A:202 |
15 |
1 |
411 |
◊ |
A |
x,y,z |
1_555 |
29 |
12 |
9351 |
174.6 |
1.8 |
0.248 |
9 |
0 |
0 |
0.043 |
15 |
|
[M7P]B:202 |
15 |
1 |
410 |
◊ |
B |
x,y,z |
1_555 |
26 |
11 |
9358 |
172.4 |
1.8 |
0.243 |
9 |
0 |
0 |
0.043 |
16 |
|
[M7P]D:201 |
15 |
1 |
413 |
◊ |
D |
x,y,z |
1_555 |
27 |
11 |
10067 |
166.0 |
1.7 |
0.227 |
9 |
0 |
0 |
0.043 |
Average: |
172.0 |
1.8 |
0.235 |
9 |
0 |
0 |
0.043 |
11 |
17 |
|
D |
12 |
2 |
10067 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
18 |
5 |
9439 |
128.8 |
-0.7 |
0.503 |
3 |
0 |
0 |
0.000 |
12 |
18 |
|
[PG4]A:204 |
11 |
1 |
395 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
9351 |
121.6 |
3.1 |
0.334 |
0 |
0 |
0 |
0.000 |
13 |
19 |
|
C |
16 |
6 |
9439 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
10 |
2 |
9351 |
91.5 |
0.7 |
0.796 |
4 |
3 |
0 |
0.000 |
14 |
20 |
|
C |
9 |
2 |
9439 |
x |
C |
x-1/2,-y+1/2,-z |
4_455 |
11 |
3 |
9439 |
88.0 |
-1.2 |
0.382 |
0 |
0 |
0 |
0.000 |
15 |
21 |
|
[M7P]A:202 |
13 |
1 |
411 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
9358 |
87.7 |
1.6 |
0.168 |
3 |
0 |
0 |
0.000 |
22 |
|
[M7P]B:202 |
12 |
1 |
410 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
9351 |
86.5 |
1.5 |
0.183 |
3 |
0 |
0 |
0.000 |
Average: |
87.1 |
1.5 |
0.175 |
3 |
0 |
0 |
0.000 |
16 |
23 |
|
[M7P]C:201 |
12 |
1 |
410 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
10067 |
86.6 |
1.6 |
0.188 |
3 |
0 |
0 |
0.000 |
24 |
|
[M7P]D:201 |
11 |
1 |
413 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
9439 |
76.8 |
1.4 |
0.202 |
3 |
0 |
0 |
0.000 |
Average: |
81.7 |
1.5 |
0.195 |
3 |
0 |
0 |
0.000 |
17 |
25 |
|
[M7P]B:202 |
7 |
1 |
410 |
f |
C |
x,y,z |
1_555 |
18 |
6 |
9439 |
81.2 |
2.0 |
0.596 |
0 |
0 |
0 |
0.000 |
18 |
26 |
|
C |
11 |
6 |
9439 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
14 |
5 |
9351 |
80.9 |
0.4 |
0.704 |
0 |
0 |
0 |
0.000 |
19 |
27 |
|
[M7P]D:201 |
6 |
1 |
413 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
9351 |
79.8 |
1.9 |
0.689 |
0 |
0 |
0 |
0.000 |
28 |
|
[M7P]A:202 |
7 |
1 |
411 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
10067 |
78.1 |
1.6 |
0.536 |
0 |
0 |
0 |
0.000 |
29 |
|
[M7P]C:201 |
6 |
1 |
410 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
9358 |
77.8 |
1.8 |
0.633 |
0 |
0 |
0 |
0.000 |
Average: |
78.6 |
1.8 |
0.619 |
0 |
0 |
0 |
0.000 |
20 |
30 |
|
[EDO]C:203 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
8 |
5 |
9439 |
60.7 |
1.5 |
0.247 |
0 |
0 |
0 |
0.000 |
21 |
31 |
|
[EDO]C:204 |
4 |
1 |
186 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
9 |
4 |
9351 |
57.0 |
1.3 |
0.748 |
0 |
0 |
0 |
0.000 |
22 |
32 |
|
B |
6 |
3 |
9358 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
4 |
2 |
9439 |
44.9 |
1.2 |
0.888 |
2 |
3 |
0 |
0.000 |
23 |
33 |
|
A |
4 |
2 |
9351 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
9351 |
35.8 |
0.7 |
0.854 |
1 |
1 |
0 |
0.000 |
24 |
34 |
|
D |
2 |
1 |
10067 |
◊ |
[M7P]D:201 |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
1 |
413 |
35.6 |
-0.0 |
0.124 |
0 |
0 |
0 |
0.000 |
25 |
35 |
|
[EDO]C:204 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
4 |
1 |
9439 |
34.9 |
1.2 |
0.847 |
0 |
0 |
0 |
0.000 |
26 |
36 |
|
[ZN]B:201 |
1 |
1 |
98 |
cf |
B |
x,y,z |
1_555 |
5 |
3 |
9358 |
33.6 |
-22.3 |
0.000 |
0 |
0 |
0 |
0.804 |
37 |
|
[ZN]A:205 |
1 |
1 |
98 |
cf |
D |
x,y,z |
1_555 |
5 |
3 |
10067 |
33.3 |
-22.1 |
0.000 |
0 |
0 |
0 |
0.804 |
38 |
|
[ZN]B:203 |
1 |
1 |
98 |
cf |
C |
x,y,z |
1_555 |
5 |
3 |
9439 |
32.9 |
-22.6 |
0.000 |
0 |
0 |
0 |
0.804 |
39 |
|
[ZN]A:201 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
9351 |
32.6 |
-23.0 |
0.000 |
0 |
0 |
0 |
0.804 |
Average: |
33.1 |
-22.5 |
0.000 |
0 |
0 |
0 |
0.804 |
27 |
40 |
|
[ZN]B:201 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
9439 |
28.7 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.234 |
41 |
|
[ZN]A:205 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
9351 |
28.2 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.234 |
42 |
|
[ZN]B:203 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
9358 |
27.4 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.234 |
43 |
|
[ZN]A:201 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
4 |
3 |
10067 |
26.7 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.234 |
Average: |
27.8 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.234 |
28 |
44 |
|
D |
3 |
2 |
10067 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
9439 |
23.5 |
0.4 |
0.802 |
0 |
0 |
0 |
0.000 |
29 |
45 |
|
C |
1 |
1 |
9439 |
f |
[EDO]C:203 |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
184 |
14.6 |
0.7 |
0.953 |
0 |
0 |
0 |
0.000 |
30 |
46 |
|
[M7P]D:201 |
1 |
1 |
413 |
f |
[ZN]A:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.0 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.151 |
47 |
|
[M7P]B:202 |
1 |
1 |
410 |
f |
[ZN]B:203 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.9 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.151 |
48 |
|
[M7P]A:202 |
1 |
1 |
411 |
f |
[ZN]A:205 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.151 |
49 |
|
[M7P]C:201 |
1 |
1 |
410 |
f |
[ZN]B:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.151 |
Average: |
12.4 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.151 |
31 |
50 |
|
B |
1 |
1 |
9358 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
1 |
10067 |
11.7 |
0.1 |
0.723 |
0 |
0 |
0 |
0.000 |
32 |
51 |
|
B |
2 |
1 |
9358 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
9351 |
3.0 |
-0.0 |
0.547 |
0 |
0 |
0 |
0.000 |
33 |
52 |
|
A |
1 |
1 |
9351 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
9439 |
0.6 |
0.0 |
0.649 |
0 |
0 |
0 |
0.000 |
|