## |
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 |
105 |
30 |
10621 |
◊ |
A |
x,y,z |
1_555 |
97 |
25 |
10615 |
984.1 |
-10.5 |
0.151 |
16 |
0 |
0 |
0.146 |
2 |
2 |
|
B |
70 |
24 |
10621 |
◊ |
A |
-x,y,-z-1 |
2_554 |
60 |
24 |
10615 |
765.2 |
-11.5 |
0.027 |
6 |
5 |
0 |
0.136 |
3 |
3 |
|
A |
43 |
14 |
10615 |
x |
A |
-x-1/2,y-1/2,-z-1/2 |
4_444 |
48 |
16 |
10615 |
432.6 |
-1.9 |
0.545 |
9 |
3 |
0 |
0.000 |
4 |
4 |
|
B |
40 |
17 |
10621 |
◊ |
B |
-x-1,y,-z-1 |
2_454 |
40 |
17 |
10621 |
403.1 |
2.6 |
0.875 |
5 |
0 |
0 |
0.000 |
5 |
5 |
|
B |
34 |
12 |
10621 |
x |
B |
-x-1/2,y-1/2,-z-3/2 |
4_443 |
31 |
11 |
10621 |
301.4 |
-2.2 |
0.417 |
5 |
3 |
0 |
0.000 |
6 |
6 |
|
A |
32 |
12 |
10615 |
◊ |
B |
x-1/2,y+1/2,z+1/2 |
3_455 |
37 |
10 |
10621 |
282.7 |
0.3 |
0.686 |
4 |
1 |
0 |
0.000 |
7 |
7 |
|
B |
31 |
15 |
10621 |
◊ |
A |
x-1/2,y-1/2,z-1/2 |
3_444 |
27 |
7 |
10615 |
267.4 |
1.5 |
0.809 |
3 |
2 |
0 |
0.000 |
8 |
8 |
|
A |
19 |
7 |
10615 |
◊ |
A |
-x-1,y,-z-1 |
2_454 |
19 |
7 |
10615 |
160.9 |
4.4 |
0.981 |
2 |
0 |
0 |
0.000 |
9 |
9 |
|
B |
18 |
8 |
10621 |
◊ |
A |
-x-1,y,-z-1 |
2_454 |
20 |
7 |
10615 |
147.2 |
-1.3 |
0.454 |
4 |
1 |
0 |
0.000 |
10 |
10 |
|
[EDO]A:309 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
10615 |
114.6 |
3.6 |
0.478 |
4 |
0 |
0 |
0.000 |
11 |
11 |
|
[EDO]B:309 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
10621 |
105.3 |
3.8 |
0.505 |
3 |
0 |
0 |
0.000 |
12 |
12 |
|
[EDO]B:306 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
20 |
9 |
10621 |
99.7 |
3.3 |
0.467 |
4 |
0 |
0 |
0.000 |
13 |
13 |
|
[EDO]A:306 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
10615 |
98.9 |
3.1 |
0.483 |
7 |
0 |
0 |
0.000 |
14 |
14 |
|
[EDO]A:305 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
23 |
9 |
10615 |
95.4 |
2.8 |
0.649 |
3 |
0 |
0 |
0.000 |
15 |
15 |
|
[EDO]B:305 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
24 |
9 |
10621 |
95.0 |
2.7 |
0.433 |
3 |
0 |
0 |
0.000 |
16 |
16 |
|
[EDO]A:307 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
10615 |
94.1 |
3.2 |
0.551 |
4 |
0 |
0 |
0.000 |
17 |
17 |
|
B |
15 |
8 |
10621 |
◊ |
[EDO]B:312 |
-x-1/2,y-1/2,-z-3/2 |
4_443 |
4 |
1 |
184 |
92.6 |
2.3 |
0.403 |
1 |
0 |
0 |
0.000 |
18 |
18 |
|
[EDO]B:307 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
10621 |
90.5 |
3.1 |
0.310 |
4 |
0 |
0 |
0.000 |
19 |
19 |
|
[EDO]A:311 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
10615 |
88.3 |
2.3 |
0.291 |
3 |
0 |
0 |
0.000 |
20 |
20 |
|
[EDO]A:308 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
10615 |
84.9 |
2.4 |
0.435 |
1 |
0 |
0 |
0.000 |
21 |
21 |
|
[EDO]B:308 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
10621 |
81.5 |
2.1 |
0.250 |
1 |
0 |
0 |
0.000 |
22 |
22 |
|
[EDO]A:310 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
10621 |
78.0 |
1.5 |
0.268 |
3 |
0 |
0 |
0.000 |
23 |
23 |
|
[EDO]B:311 |
3 |
1 |
184 |
◊ |
B |
-x-1,y,-z-1 |
2_454 |
13 |
5 |
10621 |
77.3 |
2.3 |
0.572 |
1 |
0 |
0 |
0.000 |
24 |
24 |
|
[EDO]B:310 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
10621 |
69.5 |
2.7 |
0.511 |
1 |
0 |
0 |
0.000 |
25 |
25 |
|
[EDO]B:310 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
10615 |
66.4 |
1.0 |
0.723 |
0 |
0 |
0 |
0.000 |
26 |
26 |
|
[EDO]A:310 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
13 |
7 |
10615 |
66.1 |
2.1 |
0.314 |
1 |
0 |
0 |
0.000 |
27 |
27 |
|
B |
10 |
2 |
10621 |
◊ |
B |
-x,y,-z-1 |
2_554 |
10 |
2 |
10621 |
65.9 |
-1.5 |
0.278 |
0 |
0 |
0 |
0.006 |
28 |
28 |
|
[MN]A:301 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
10 |
8 |
10615 |
59.4 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.111 |
29 |
|
[MN]B:301 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
10621 |
58.5 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.111 |
Average: |
59.0 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.111 |
29 |
30 |
|
[EDO]B:311 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
10621 |
57.9 |
1.6 |
0.268 |
0 |
0 |
0 |
0.000 |
30 |
31 |
|
[EDO]B:312 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
10621 |
45.1 |
0.9 |
0.755 |
2 |
0 |
0 |
0.000 |
31 |
32 |
|
[ZN]A:303 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
10 |
6 |
10615 |
41.4 |
-25.7 |
0.000 |
0 |
0 |
0 |
0.467 |
33 |
|
[ZN]B:303 |
1 |
1 |
98 |
cf |
B |
x,y,z |
1_555 |
7 |
5 |
10621 |
38.8 |
-25.6 |
0.000 |
0 |
0 |
0 |
0.467 |
Average: |
40.1 |
-25.7 |
0.000 |
0 |
0 |
0 |
0.467 |
32 |
34 |
|
[CA]A:302 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
10615 |
41.2 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.197 |
35 |
|
[CA]B:302 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
10621 |
41.2 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.197 |
Average: |
41.2 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.197 |
33 |
36 |
|
[CA]A:304 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
10615 |
39.4 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.076 |
34 |
37 |
|
[CA]B:304 |
1 |
1 |
85 |
f |
A |
-x,y,-z-1 |
2_554 |
8 |
4 |
10615 |
36.3 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.060 |
35 |
38 |
|
A |
4 |
1 |
10615 |
◊ |
[EDO]A:306 |
-x-1/2,y-1/2,-z-1/2 |
4_444 |
3 |
1 |
184 |
34.1 |
0.9 |
0.699 |
0 |
0 |
0 |
0.000 |
36 |
39 |
|
[CA]B:304 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
10621 |
31.1 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.050 |
37 |
40 |
|
B |
3 |
2 |
10621 |
◊ |
[ZN]B:303 |
-x-1/2,y-1/2,-z-3/2 |
4_443 |
1 |
1 |
98 |
29.7 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.000 |
41 |
|
[ZN]A:303 |
1 |
1 |
98 |
◊ |
A |
-x-1/2,y-1/2,-z-1/2 |
4_444 |
5 |
2 |
10615 |
28.4 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
29.1 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.000 |
38 |
42 |
|
[EDO]B:305 |
2 |
1 |
183 |
◊ |
[EDO]A:310 |
x,y,z |
1_555 |
3 |
1 |
184 |
29.5 |
1.7 |
0.707 |
0 |
0 |
0 |
0.000 |
39 |
43 |
|
B |
2 |
1 |
10621 |
◊ |
A |
-x-1/2,y-1/2,-z-1/2 |
4_444 |
4 |
2 |
10615 |
28.2 |
0.1 |
0.513 |
0 |
0 |
0 |
0.000 |
40 |
44 |
|
[EDO]B:310 |
3 |
1 |
183 |
◊ |
[EDO]A:305 |
x,y,z |
1_555 |
2 |
1 |
183 |
27.6 |
1.2 |
0.707 |
0 |
0 |
0 |
0.000 |
41 |
45 |
|
[EDO]B:306 |
2 |
1 |
183 |
◊ |
B |
-x-1/2,y-1/2,-z-3/2 |
4_443 |
3 |
2 |
10621 |
22.9 |
0.3 |
0.486 |
0 |
0 |
0 |
0.000 |
42 |
46 |
|
[EDO]B:306 |
3 |
1 |
183 |
f |
A |
x-1/2,y-1/2,z-1/2 |
3_444 |
4 |
1 |
10615 |
18.0 |
0.2 |
0.788 |
0 |
0 |
0 |
0.000 |
43 |
47 |
|
[CA]A:302 |
1 |
1 |
85 |
f |
[MN]A:301 |
x,y,z |
1_555 |
1 |
1 |
123 |
12.7 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.023 |
44 |
48 |
|
[CA]B:302 |
1 |
1 |
85 |
f |
[MN]B:301 |
x,y,z |
1_555 |
1 |
1 |
123 |
12.0 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.022 |
45 |
49 |
|
[CA]A:304 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
10621 |
11.9 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.016 |
46 |
50 |
|
[EDO]A:305 |
2 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
2 |
2 |
10621 |
11.3 |
0.4 |
0.914 |
0 |
0 |
0 |
0.000 |
47 |
51 |
|
[EDO]B:305 |
2 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
10615 |
9.4 |
0.3 |
0.937 |
0 |
0 |
0 |
0.000 |
48 |
52 |
|
B |
1 |
1 |
10621 |
◊ |
A |
-x-1/2,y-1/2,-z-3/2 |
4_443 |
1 |
1 |
10615 |
2.1 |
0.1 |
0.736 |
0 |
0 |
0 |
0.000 |
|