## |
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 |
86 |
22 |
15051 |
◊ |
A |
x,y,z |
1_555 |
80 |
24 |
15370 |
760.3 |
-1.4 |
0.551 |
14 |
10 |
0 |
0.000 |
2 |
2 |
|
A |
43 |
15 |
15370 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
58 |
19 |
15051 |
442.9 |
0.7 |
0.669 |
4 |
3 |
0 |
0.000 |
3 |
3 |
|
A |
52 |
13 |
15370 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
36 |
10 |
15051 |
389.1 |
0.2 |
0.632 |
6 |
6 |
0 |
0.000 |
4 |
4 |
|
[5DE]B:1003 |
19 |
1 |
469 |
f |
B |
x,y,z |
1_555 |
52 |
19 |
15051 |
327.0 |
1.1 |
0.347 |
3 |
0 |
0 |
0.000 |
5 |
|
[5DE]A:1003 |
19 |
1 |
469 |
f |
A |
x,y,z |
1_555 |
48 |
19 |
15370 |
318.6 |
1.0 |
0.328 |
3 |
0 |
0 |
0.000 |
Average: |
322.8 |
1.1 |
0.337 |
3 |
0 |
0 |
0.001 |
5 |
6 |
|
B |
23 |
6 |
15051 |
x |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
28 |
9 |
15051 |
228.3 |
1.4 |
0.698 |
4 |
1 |
0 |
0.000 |
6 |
7 |
|
B |
25 |
8 |
15051 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
27 |
9 |
15370 |
213.9 |
2.8 |
0.859 |
1 |
4 |
0 |
0.000 |
7 |
8 |
|
[EDO]B:430 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
22 |
10 |
15051 |
118.8 |
3.8 |
0.641 |
1 |
0 |
0 |
0.000 |
8 |
9 |
|
[EDO]B:417 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
15051 |
114.6 |
3.3 |
0.399 |
0 |
0 |
0 |
0.000 |
9 |
10 |
|
[EDO]A:420 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
15370 |
111.9 |
3.5 |
0.579 |
0 |
0 |
0 |
0.000 |
10 |
11 |
|
[EDO]B:434 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
17 |
8 |
15051 |
110.1 |
3.6 |
0.482 |
4 |
0 |
0 |
0.000 |
11 |
12 |
|
[EDO]A:415 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
18 |
9 |
15370 |
108.7 |
3.9 |
0.505 |
4 |
0 |
0 |
0.000 |
12 |
13 |
|
[EDO]A:416 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
15370 |
107.4 |
3.6 |
0.593 |
2 |
0 |
0 |
0.000 |
13 |
14 |
|
[EDO]A:422 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
15370 |
106.4 |
2.5 |
0.325 |
1 |
0 |
0 |
0.000 |
14 |
15 |
|
[EDO]B:1004 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
15051 |
104.9 |
4.0 |
0.521 |
1 |
0 |
0 |
0.000 |
15 |
16 |
|
[EDO]B:1006 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
15051 |
104.6 |
2.4 |
0.328 |
1 |
0 |
0 |
0.000 |
16 |
17 |
|
[EDO]A:433 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
15370 |
86.9 |
2.5 |
0.413 |
0 |
0 |
0 |
0.000 |
17 |
18 |
|
[EDO]A:1004 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
15370 |
83.6 |
3.0 |
0.308 |
3 |
0 |
0 |
0.000 |
18 |
19 |
|
[EDO]A:444 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
15370 |
81.5 |
1.3 |
0.138 |
0 |
0 |
0 |
0.000 |
19 |
20 |
|
[EDO]A:419 |
4 |
1 |
183 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
11 |
5 |
15051 |
80.7 |
2.7 |
0.322 |
3 |
0 |
0 |
0.000 |
20 |
21 |
|
A |
11 |
4 |
15370 |
◊ |
[EDO]B:1005 |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
1 |
184 |
76.3 |
1.8 |
0.194 |
0 |
0 |
0 |
0.000 |
21 |
22 |
|
B |
8 |
3 |
15051 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
14 |
5 |
15370 |
74.2 |
-0.8 |
0.393 |
1 |
0 |
0 |
0.000 |
22 |
23 |
|
[EDO]A:419 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
15370 |
71.7 |
2.1 |
0.278 |
2 |
0 |
0 |
0.000 |
23 |
24 |
|
A |
8 |
3 |
15370 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
9 |
6 |
15370 |
71.0 |
2.2 |
0.896 |
1 |
2 |
0 |
0.000 |
24 |
25 |
|
[EDO]A:444 |
4 |
1 |
184 |
f |
[5DE]A:1003 |
x,y,z |
1_555 |
9 |
1 |
469 |
53.3 |
2.0 |
0.541 |
1 |
0 |
0 |
0.000 |
25 |
26 |
|
[MG]A:1002 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
15370 |
52.5 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.021 |
27 |
|
[MG]B:1002 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
15051 |
52.0 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.021 |
Average: |
52.2 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.021 |
26 |
28 |
|
[EDO]B:1005 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
15051 |
52.1 |
1.7 |
0.830 |
0 |
0 |
0 |
0.000 |
27 |
29 |
|
[EDO]A:1004 |
3 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
15051 |
45.1 |
1.6 |
0.284 |
0 |
0 |
0 |
0.000 |
28 |
30 |
|
[ZN]A:1001 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
15370 |
41.2 |
-30.6 |
0.000 |
0 |
0 |
0 |
0.086 |
31 |
|
[ZN]B:1001 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
15051 |
40.8 |
-29.4 |
0.000 |
0 |
0 |
0 |
0.086 |
Average: |
41.0 |
-30.0 |
0.000 |
0 |
0 |
0 |
0.086 |
29 |
32 |
|
A |
3 |
1 |
15370 |
f |
[EDO]B:1004 |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
1 |
184 |
34.6 |
0.5 |
0.609 |
1 |
0 |
0 |
0.000 |
30 |
33 |
|
B |
2 |
1 |
15051 |
f |
[EDO]A:415 |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
184 |
19.6 |
0.1 |
0.440 |
0 |
0 |
0 |
0.000 |
31 |
34 |
|
A |
2 |
2 |
15370 |
◊ |
[EDO]B:434 |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
183 |
18.0 |
0.3 |
0.466 |
0 |
0 |
0 |
0.000 |
32 |
35 |
|
[5DE]A:1003 |
1 |
1 |
469 |
f |
[MG]A:1002 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.3 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.004 |
36 |
|
[5DE]B:1003 |
2 |
1 |
469 |
f |
[MG]B:1002 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.0 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.004 |
Average: |
16.2 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.004 |
33 |
37 |
|
[EDO]A:444 |
1 |
1 |
184 |
f |
[EDO]A:422 |
x,y,z |
1_555 |
3 |
1 |
182 |
15.3 |
0.7 |
1.000 |
0 |
0 |
0 |
0.000 |
34 |
38 |
|
[MG]A:1002 |
1 |
1 |
98 |
f |
[ZN]A:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.3 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.019 |
35 |
39 |
|
[MG]B:1002 |
1 |
1 |
98 |
f |
[ZN]B:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.9 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.017 |
36 |
40 |
|
[5DE]B:1003 |
3 |
1 |
469 |
f |
[ZN]B:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.2 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.012 |
41 |
|
[5DE]A:1003 |
3 |
1 |
469 |
f |
[ZN]A:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.9 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.012 |
Average: |
11.6 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.012 |
37 |
42 |
|
[EDO]B:1006 |
1 |
1 |
184 |
f |
[5DE]B:1003 |
x,y,z |
1_555 |
2 |
1 |
469 |
5.5 |
0.3 |
0.727 |
0 |
0 |
0 |
0.000 |
38 |
43 |
|
B |
2 |
2 |
15051 |
x |
B |
x-1,y,z |
1_455 |
1 |
1 |
15051 |
4.2 |
-0.1 |
0.453 |
0 |
0 |
0 |
0.000 |
39 |
44 |
|
[EDO]A:422 |
1 |
1 |
182 |
f |
[5DE]A:1003 |
x,y,z |
1_555 |
2 |
1 |
469 |
3.8 |
0.2 |
0.674 |
0 |
0 |
0 |
0.000 |
40 |
45 |
|
[EDO]A:419 |
1 |
1 |
183 |
f |
[EDO]B:434 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
183 |
0.4 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
|