## |
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 |
97 |
25 |
7366 |
◊ |
C |
x,y,z |
1_555 |
113 |
38 |
17751 |
910.6 |
0.4 |
0.603 |
21 |
9 |
0 |
0.063 |
2 |
|
B |
89 |
24 |
6979 |
◊ |
A |
x,y,z |
1_555 |
113 |
39 |
17632 |
892.6 |
2.9 |
0.768 |
23 |
11 |
0 |
0.063 |
Average: |
901.6 |
1.7 |
0.685 |
22 |
10 |
0 |
0.063 |
2 |
3 |
|
A |
57 |
12 |
17632 |
◊ |
C |
-x,y-1/2,-z-1/2 |
4_544 |
61 |
20 |
17751 |
536.2 |
-5.6 |
0.260 |
5 |
3 |
0 |
0.000 |
3 |
4 |
|
A |
55 |
17 |
17632 |
◊ |
C |
x-1/2,-y+1/2,-z |
3_455 |
54 |
10 |
17751 |
530.8 |
-5.2 |
0.274 |
5 |
5 |
0 |
0.003 |
4 |
5 |
|
C |
45 |
11 |
17751 |
◊ |
A |
x,y,z |
1_555 |
46 |
10 |
17632 |
471.3 |
-9.6 |
0.027 |
0 |
0 |
0 |
0.031 |
5 |
6 |
|
C |
50 |
14 |
17751 |
x |
C |
-x,y-1/2,-z-1/2 |
4_544 |
47 |
19 |
17751 |
421.3 |
-2.8 |
0.447 |
5 |
0 |
0 |
0.000 |
6 |
7 |
|
A |
41 |
11 |
17632 |
x |
A |
x-1/2,-y+1/2,-z |
3_455 |
39 |
9 |
17632 |
378.7 |
-3.7 |
0.278 |
1 |
0 |
0 |
0.000 |
7 |
8 |
|
A |
37 |
12 |
17632 |
◊ |
B |
x,y-1,z |
1_545 |
44 |
12 |
6979 |
360.1 |
1.4 |
0.679 |
3 |
4 |
0 |
0.003 |
8 |
9 |
|
C |
37 |
13 |
17751 |
◊ |
B |
-x,y-1/2,-z-1/2 |
4_544 |
41 |
13 |
6979 |
310.9 |
2.0 |
0.714 |
2 |
1 |
0 |
0.000 |
9 |
10 |
|
D |
28 |
9 |
7366 |
◊ |
C |
x-1,y,z |
1_455 |
30 |
10 |
17751 |
278.3 |
0.2 |
0.595 |
1 |
1 |
0 |
0.000 |
10 |
11 |
|
D |
28 |
7 |
7366 |
◊ |
A |
x-1/2,-y+1/2,-z |
3_455 |
27 |
9 |
17632 |
251.8 |
1.7 |
0.717 |
3 |
1 |
0 |
0.000 |
11 |
12 |
|
[ACT]C:508 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
22 |
8 |
17751 |
127.6 |
-0.5 |
0.627 |
1 |
0 |
0 |
0.006 |
12 |
13 |
|
[GOL]C:511 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
21 |
7 |
17751 |
126.4 |
-1.0 |
0.468 |
0 |
0 |
0 |
0.006 |
13 |
14 |
|
[ACT]B:206 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
29 |
8 |
6979 |
115.2 |
-0.5 |
0.560 |
2 |
0 |
0 |
0.008 |
14 |
15 |
|
[ACT]A:508 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
17632 |
115.0 |
-0.6 |
0.607 |
2 |
0 |
0 |
0.009 |
15 |
16 |
|
[ACT]C:506 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
22 |
9 |
17751 |
114.3 |
-1.2 |
0.566 |
0 |
0 |
0 |
0.007 |
16 |
17 |
|
[ACT]A:505 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
23 |
8 |
17632 |
113.2 |
-1.2 |
0.557 |
2 |
0 |
0 |
0.012 |
17 |
18 |
|
[ACT]D:201 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
21 |
7 |
17751 |
99.9 |
-0.6 |
0.623 |
1 |
0 |
0 |
0.007 |
18 |
19 |
|
[ACT]B:202 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
17632 |
99.4 |
-0.6 |
0.615 |
1 |
0 |
0 |
0.006 |
19 |
20 |
|
[ACT]A:507 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
17632 |
96.1 |
-0.1 |
0.710 |
2 |
0 |
0 |
0.006 |
20 |
21 |
|
[ACT]A:510 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
17632 |
94.8 |
-1.0 |
0.587 |
2 |
0 |
0 |
0.011 |
21 |
22 |
|
[ACT]A:509 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
17632 |
94.4 |
0.0 |
0.709 |
1 |
0 |
0 |
0.002 |
22 |
23 |
|
[ACT]B:203 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
6979 |
92.0 |
-0.1 |
0.630 |
2 |
0 |
0 |
0.006 |
23 |
24 |
|
[GOL]C:510 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
17751 |
84.9 |
0.1 |
0.626 |
3 |
0 |
0 |
0.007 |
24 |
25 |
|
A |
11 |
4 |
17632 |
◊ |
[GOL]C:510 |
x-1/2,-y+1/2,-z |
3_455 |
6 |
1 |
220 |
84.3 |
-0.7 |
0.426 |
1 |
0 |
0 |
0.000 |
25 |
26 |
|
C |
11 |
4 |
17751 |
f |
[ACT]C:509 |
-x,y-1/2,-z-1/2 |
4_544 |
4 |
1 |
183 |
77.5 |
-1.5 |
0.499 |
0 |
0 |
0 |
0.009 |
26 |
27 |
|
A |
11 |
6 |
17632 |
◊ |
[GOL]B:207 |
x,y-1,z |
1_545 |
5 |
1 |
218 |
70.0 |
0.8 |
0.736 |
4 |
0 |
0 |
0.006 |
27 |
28 |
|
[ZN]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
17632 |
62.8 |
-31.2 |
0.000 |
0 |
0 |
0 |
0.205 |
29 |
|
[ZN]C:501 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
14 |
8 |
17751 |
61.1 |
-32.5 |
0.000 |
0 |
0 |
0 |
0.205 |
Average: |
62.0 |
-31.9 |
0.000 |
0 |
0 |
0 |
0.205 |
28 |
30 |
|
[CL]A:504 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
17632 |
62.5 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.057 |
29 |
31 |
|
[CL]C:504 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
17751 |
62.0 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.057 |
30 |
32 |
|
[ACT]B:205 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
6979 |
61.6 |
0.4 |
0.641 |
3 |
0 |
0 |
0.005 |
31 |
33 |
|
[ACT]C:509 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
17751 |
60.5 |
0.1 |
0.751 |
0 |
0 |
0 |
0.000 |
32 |
34 |
|
[ACT]D:202 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
7366 |
59.5 |
0.5 |
0.711 |
0 |
0 |
0 |
0.000 |
33 |
35 |
|
[NA]C:505 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
6 |
17751 |
59.2 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.052 |
34 |
36 |
|
[ACT]C:507 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
17751 |
56.2 |
0.5 |
0.734 |
1 |
0 |
0 |
0.000 |
35 |
37 |
|
[ACT]B:204 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
6979 |
54.3 |
0.5 |
0.736 |
1 |
0 |
0 |
0.000 |
36 |
38 |
|
[GOL]B:207 |
5 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
6979 |
53.3 |
0.3 |
0.604 |
2 |
0 |
0 |
0.004 |
37 |
39 |
|
[ACT]A:506 |
3 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
17632 |
49.3 |
0.6 |
0.790 |
0 |
0 |
0 |
0.000 |
38 |
40 |
|
[ZN]A:503 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
17632 |
47.4 |
-37.6 |
0.000 |
0 |
0 |
0 |
0.240 |
41 |
|
[ZN]C:503 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
3 |
3 |
17751 |
46.8 |
-36.9 |
0.000 |
0 |
0 |
0 |
0.240 |
Average: |
47.1 |
-37.2 |
0.000 |
0 |
0 |
0 |
0.240 |
39 |
42 |
|
[ACT]D:201 |
3 |
1 |
182 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
7366 |
44.7 |
-0.9 |
0.448 |
0 |
0 |
0 |
0.006 |
40 |
43 |
|
[ACT]B:202 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
6979 |
44.2 |
-0.9 |
0.441 |
0 |
0 |
0 |
0.005 |
41 |
44 |
|
[ZN]B:201 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
6979 |
41.1 |
-19.9 |
0.000 |
0 |
0 |
0 |
0.119 |
42 |
45 |
|
[ZN]C:502 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
17751 |
38.3 |
-24.3 |
0.000 |
0 |
0 |
0 |
0.156 |
46 |
|
[ZN]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
17632 |
37.3 |
-24.2 |
0.000 |
0 |
0 |
0 |
0.156 |
Average: |
37.8 |
-24.3 |
0.000 |
0 |
0 |
0 |
0.156 |
43 |
47 |
|
A |
5 |
2 |
17632 |
◊ |
[ACT]C:507 |
x-1/2,-y+1/2,-z |
3_455 |
4 |
1 |
183 |
38.3 |
0.5 |
0.801 |
0 |
0 |
0 |
0.000 |
44 |
48 |
|
[ACT]D:202 |
3 |
1 |
183 |
f |
A |
x-1/2,-y+1/2,-z |
3_455 |
5 |
1 |
17632 |
37.9 |
-0.2 |
0.678 |
0 |
0 |
0 |
0.001 |
45 |
49 |
|
[CA]A:511 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
17632 |
37.3 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.063 |
50 |
|
[CA]C:512 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
17751 |
36.9 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.063 |
Average: |
37.1 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.063 |
46 |
51 |
|
[NA]C:505 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
7366 |
33.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.026 |
47 |
52 |
|
A |
6 |
3 |
17632 |
◊ |
[ZN]B:201 |
x,y-1,z |
1_545 |
1 |
1 |
98 |
32.5 |
-15.4 |
0.000 |
0 |
0 |
0 |
0.092 |
48 |
53 |
|
C |
3 |
1 |
17751 |
◊ |
D |
-x,y-1/2,-z-1/2 |
4_544 |
5 |
3 |
7366 |
30.8 |
-0.2 |
0.494 |
0 |
0 |
0 |
0.000 |
49 |
54 |
|
[ZN]C:502 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
7366 |
28.6 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.071 |
55 |
|
[ZN]A:502 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
6979 |
28.2 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.071 |
Average: |
28.4 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.071 |
50 |
56 |
|
[CL]C:504 |
1 |
1 |
125 |
◊ |
B |
-x,y-1/2,-z-1/2 |
4_544 |
2 |
1 |
6979 |
23.4 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
51 |
57 |
|
A |
4 |
1 |
17632 |
◊ |
[ACT]C:509 |
-x,y-1/2,-z-1/2 |
4_544 |
2 |
1 |
183 |
20.0 |
-0.5 |
0.458 |
0 |
0 |
0 |
0.002 |
52 |
58 |
|
D |
4 |
3 |
7366 |
◊ |
[ZN]C:501 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
15.2 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.000 |
53 |
59 |
|
[ACT]C:508 |
1 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
17632 |
15.1 |
-0.1 |
0.506 |
0 |
0 |
0 |
0.000 |
54 |
60 |
|
[CA]A:511 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
6979 |
11.9 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.008 |
61 |
|
[CA]C:512 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
7366 |
11.8 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.008 |
Average: |
11.8 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.008 |
55 |
62 |
|
[GOL]B:207 |
2 |
1 |
218 |
f |
[ZN]B:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.8 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.021 |
56 |
63 |
|
[CA]C:512 |
1 |
1 |
85 |
f |
[ZN]C:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.026 |
57 |
64 |
|
[CA]A:511 |
1 |
1 |
85 |
f |
[ZN]A:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.023 |
58 |
65 |
|
[ACT]A:510 |
3 |
1 |
182 |
◊ |
A |
x-1/2,-y+1/2,-z |
3_455 |
1 |
1 |
17632 |
5.7 |
0.1 |
0.741 |
0 |
0 |
0 |
0.000 |
59 |
66 |
|
[ZN]C:503 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
7366 |
5.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.013 |
67 |
|
[ZN]A:503 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
6979 |
4.0 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.013 |
Average: |
4.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.013 |
60 |
68 |
|
A |
1 |
1 |
17632 |
◊ |
[ACT]A:507 |
x-1/2,-y+1/2,-z |
3_455 |
1 |
1 |
182 |
0.2 |
-0.0 |
0.560 |
0 |
0 |
0 |
0.000 |
|