| ## |
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 |
77 |
23 |
13941 |
◊ |
A |
x,y,z |
1_555 |
76 |
22 |
14471 |
707.0 |
-3.1 |
0.600 |
16 |
12 |
0 |
0.000 |
| 2 |
2 |
|
[AJL]B:503 |
25 |
1 |
542 |
f |
B |
x,y,z |
1_555 |
51 |
20 |
13941 |
358.6 |
1.4 |
0.281 |
2 |
0 |
0 |
0.000 |
3 |
|
[AJL]A:504 |
25 |
1 |
541 |
f |
A |
x,y,z |
1_555 |
50 |
20 |
14471 |
354.2 |
1.5 |
0.250 |
2 |
0 |
0 |
0.000 |
| Average: |
356.4 |
1.5 |
0.265 |
2 |
0 |
0 |
0.000 |
| 3 |
4 |
|
B |
33 |
11 |
13941 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
39 |
11 |
14471 |
298.2 |
-2.7 |
0.333 |
3 |
0 |
0 |
0.000 |
| 4 |
5 |
|
A |
21 |
7 |
14471 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
25 |
8 |
13941 |
201.6 |
1.4 |
0.841 |
2 |
2 |
0 |
0.000 |
| 5 |
6 |
|
A |
12 |
3 |
14471 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
17 |
7 |
14471 |
125.4 |
-0.9 |
0.473 |
1 |
0 |
0 |
0.000 |
| 6 |
7 |
|
[EDO]A:512 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
14471 |
114.4 |
3.3 |
0.460 |
1 |
0 |
0 |
0.000 |
| 7 |
8 |
|
[EDO]B:504 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
13941 |
108.5 |
2.7 |
0.355 |
1 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[EDO]B:506 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
13941 |
107.3 |
3.3 |
0.514 |
5 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[EDO]A:508 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
14471 |
106.9 |
2.7 |
0.330 |
1 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[EDO]B:507 |
4 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
13941 |
104.4 |
2.4 |
0.265 |
0 |
0 |
0 |
0.000 |
| 11 |
12 |
|
A |
9 |
4 |
14471 |
x |
A |
x-1,y,z |
1_455 |
12 |
5 |
14471 |
103.9 |
-0.9 |
0.454 |
1 |
0 |
0 |
0.000 |
| 12 |
13 |
|
[EDO]A:509 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
16 |
8 |
14471 |
103.4 |
3.7 |
0.512 |
3 |
0 |
0 |
0.000 |
| 13 |
14 |
|
[EDO]A:505 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
14471 |
97.4 |
2.4 |
0.434 |
3 |
0 |
0 |
0.000 |
| 14 |
15 |
|
[EDO]A:511 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
14471 |
92.3 |
2.5 |
0.422 |
2 |
0 |
0 |
0.000 |
| 15 |
16 |
|
[EDO]A:507 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
14471 |
85.7 |
2.3 |
0.401 |
1 |
0 |
0 |
0.000 |
| 16 |
17 |
|
[EDO]B:505 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
13941 |
84.6 |
2.8 |
0.315 |
3 |
0 |
0 |
0.000 |
| 17 |
18 |
|
[EDO]A:506 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
14471 |
80.8 |
2.2 |
0.254 |
2 |
0 |
0 |
0.000 |
| 18 |
19 |
|
A |
10 |
2 |
14471 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
10 |
4 |
13941 |
80.4 |
-0.8 |
0.431 |
0 |
0 |
0 |
0.000 |
| 19 |
20 |
|
[EDO]A:510 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
14471 |
73.1 |
1.6 |
0.187 |
0 |
0 |
0 |
0.000 |
| 20 |
21 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
14471 |
59.9 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.021 |
22 |
|
[MG]B:502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
14 |
9 |
13941 |
58.5 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.021 |
| Average: |
59.2 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.021 |
| 21 |
23 |
|
[ZN]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
14471 |
46.1 |
-34.3 |
0.000 |
0 |
0 |
0 |
0.085 |
24 |
|
[ZN]B:501 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
13941 |
45.7 |
-34.2 |
0.000 |
0 |
0 |
0 |
0.085 |
| Average: |
45.9 |
-34.2 |
0.000 |
0 |
0 |
0 |
0.085 |
| 22 |
25 |
|
[EDO]B:505 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
14471 |
45.9 |
1.5 |
0.289 |
0 |
0 |
0 |
0.000 |
| 23 |
26 |
|
[MG]A:503 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
14471 |
45.7 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.014 |
| 24 |
27 |
|
[EDO]A:506 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
13941 |
38.3 |
1.1 |
0.748 |
0 |
0 |
0 |
0.000 |
| 25 |
28 |
|
[EDO]A:508 |
4 |
1 |
184 |
f |
[AJL]A:504 |
x,y,z |
1_555 |
7 |
1 |
541 |
37.9 |
0.7 |
0.473 |
0 |
0 |
0 |
0.000 |
| 26 |
29 |
|
[EDO]A:511 |
4 |
1 |
182 |
f |
[EDO]A:510 |
x,y,z |
1_555 |
3 |
1 |
183 |
36.8 |
1.2 |
1.000 |
1 |
0 |
0 |
0.000 |
| 27 |
30 |
|
A |
5 |
2 |
14471 |
◊ |
[EDO]B:506 |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
182 |
36.0 |
1.4 |
0.903 |
0 |
0 |
0 |
0.000 |
| 28 |
31 |
|
B |
3 |
2 |
13941 |
f |
[EDO]A:509 |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
1 |
183 |
35.7 |
0.3 |
0.381 |
0 |
0 |
0 |
0.000 |
| 29 |
32 |
|
B |
5 |
1 |
13941 |
◊ |
[MG]A:503 |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
98 |
31.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 30 |
33 |
|
[EDO]B:504 |
4 |
1 |
183 |
f |
[AJL]B:503 |
x,y,z |
1_555 |
8 |
1 |
542 |
27.5 |
0.7 |
0.461 |
0 |
0 |
0 |
0.000 |
| 31 |
34 |
|
[MG]B:502 |
1 |
1 |
98 |
f |
[ZN]B:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.0 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.018 |
| 32 |
35 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
[ZN]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.9 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.017 |
|