## |
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 |
|
C |
51 |
14 |
4267 |
◊ |
A |
x,y-1,z |
1_545 |
49 |
14 |
4616 |
486.0 |
-5.1 |
0.154 |
2 |
2 |
0 |
0.039 |
2 |
2 |
|
B |
41 |
12 |
4581 |
◊ |
A |
x,y,z |
1_555 |
37 |
11 |
4616 |
355.3 |
-6.9 |
0.055 |
3 |
0 |
0 |
0.051 |
3 |
3 |
|
A |
30 |
8 |
4616 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
29 |
7 |
4267 |
253.0 |
1.9 |
0.720 |
5 |
2 |
0 |
0.000 |
4 |
|
C |
29 |
8 |
4267 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
31 |
7 |
4581 |
244.8 |
1.8 |
0.696 |
5 |
2 |
0 |
0.000 |
5 |
|
A |
26 |
7 |
4616 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
24 |
8 |
4581 |
225.6 |
0.4 |
0.593 |
4 |
0 |
0 |
0.000 |
Average: |
241.1 |
1.4 |
0.669 |
5 |
1 |
0 |
0.000 |
4 |
6 |
|
C |
31 |
10 |
4267 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
4616 |
248.6 |
0.1 |
0.508 |
2 |
1 |
0 |
0.000 |
7 |
|
C |
20 |
7 |
4267 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
30 |
10 |
4581 |
243.7 |
0.5 |
0.571 |
2 |
1 |
0 |
0.000 |
8 |
|
A |
29 |
10 |
4616 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
20 |
6 |
4581 |
227.3 |
0.9 |
0.632 |
4 |
1 |
0 |
0.000 |
Average: |
239.9 |
0.5 |
0.570 |
3 |
1 |
0 |
0.000 |
5 |
9 |
|
C |
25 |
8 |
4267 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
24 |
7 |
4581 |
205.4 |
0.5 |
0.563 |
1 |
2 |
0 |
0.000 |
10 |
|
C |
20 |
8 |
4267 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
18 |
5 |
4616 |
175.6 |
0.1 |
0.526 |
2 |
2 |
0 |
0.000 |
Average: |
190.5 |
0.3 |
0.545 |
2 |
2 |
0 |
0.000 |
6 |
11 |
|
A |
20 |
6 |
4616 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
22 |
5 |
4581 |
188.6 |
-0.5 |
0.488 |
1 |
2 |
0 |
0.000 |
7 |
12 |
|
C |
18 |
8 |
4267 |
◊ |
B |
x,y-1,z |
1_545 |
14 |
4 |
4581 |
153.5 |
-1.4 |
0.335 |
1 |
0 |
0 |
0.011 |
8 |
13 |
|
[ETF]B:104 |
6 |
1 |
208 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
4581 |
99.7 |
3.2 |
0.116 |
4 |
0 |
0 |
0.000 |
9 |
14 |
|
A |
10 |
4 |
4616 |
◊ |
[EDO]B:102 |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
1 |
185 |
85.8 |
2.7 |
0.278 |
1 |
0 |
0 |
0.000 |
10 |
15 |
|
[EDO]B:103 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
4581 |
82.1 |
2.2 |
0.269 |
2 |
0 |
0 |
0.000 |
11 |
16 |
|
[ACT]A:101 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
4616 |
77.2 |
-0.0 |
0.636 |
1 |
0 |
0 |
0.000 |
12 |
17 |
|
[ACT]C:101 |
4 |
1 |
182 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
14 |
5 |
4581 |
75.9 |
-0.0 |
0.685 |
1 |
0 |
0 |
0.000 |
13 |
18 |
|
[ACT]A:109 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
4267 |
73.3 |
0.0 |
0.686 |
1 |
0 |
0 |
0.000 |
14 |
19 |
|
[ACT]A:107 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
4616 |
69.0 |
-0.8 |
0.425 |
1 |
0 |
0 |
0.008 |
15 |
20 |
|
A |
8 |
4 |
4616 |
f |
[ETF]B:104 |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
208 |
68.7 |
1.9 |
0.313 |
2 |
0 |
0 |
0.000 |
16 |
21 |
|
[ACT]A:102 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
4616 |
66.4 |
-0.2 |
0.605 |
0 |
0 |
0 |
0.002 |
17 |
22 |
|
[EDO]B:102 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
4581 |
65.3 |
1.7 |
0.850 |
4 |
0 |
0 |
0.100 |
18 |
23 |
|
C |
12 |
5 |
4267 |
f |
[EDO]B:103 |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
186 |
61.2 |
1.6 |
0.835 |
4 |
0 |
0 |
0.100 |
19 |
24 |
|
B |
9 |
3 |
4581 |
x |
B |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
4581 |
53.7 |
0.4 |
0.647 |
2 |
0 |
0 |
0.000 |
20 |
25 |
|
C |
5 |
3 |
4267 |
◊ |
[ACT]A:102 |
x,y-1,z |
1_545 |
4 |
1 |
183 |
49.0 |
0.4 |
0.710 |
0 |
0 |
0 |
0.000 |
21 |
26 |
|
[ACT]A:107 |
3 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
4581 |
42.8 |
0.1 |
0.517 |
2 |
0 |
0 |
0.005 |
22 |
27 |
|
[ZN]A:108 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
4581 |
33.2 |
-16.9 |
0.000 |
0 |
0 |
0 |
0.262 |
28 |
|
C |
4 |
2 |
4267 |
◊ |
[ZN]A:106 |
x,y-1,z |
1_545 |
1 |
1 |
98 |
27.5 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.262 |
29 |
|
[ZN]A:108 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
4616 |
26.5 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.262 |
Average: |
29.0 |
-14.0 |
0.000 |
0 |
0 |
0 |
0.262 |
23 |
30 |
|
[ZN]A:106 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
4616 |
32.7 |
-13.9 |
0.000 |
0 |
0 |
0 |
0.087 |
24 |
31 |
|
[ZN]A:106 |
1 |
1 |
98 |
cf |
[ACT]A:102 |
x,y,z |
1_555 |
3 |
1 |
183 |
30.2 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.168 |
32 |
|
[ACT]C:101 |
3 |
1 |
182 |
f |
[ZN]B:101 |
-x+1/2,-y+1,z-1/2 |
2_564 |
1 |
1 |
98 |
22.5 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.168 |
33 |
|
[ZN]A:105 |
1 |
1 |
98 |
f |
[ACT]A:101 |
x,y,z |
1_555 |
3 |
1 |
182 |
11.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.168 |
34 |
|
[ZN]A:105 |
1 |
1 |
98 |
f |
[ACT]A:109 |
x,y,z |
1_555 |
3 |
1 |
183 |
11.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.168 |
Average: |
18.9 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.168 |
25 |
35 |
|
[ZN]A:103 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
4267 |
29.7 |
-14.6 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
|
[ZN]B:101 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
4581 |
29.2 |
-14.4 |
0.000 |
0 |
0 |
0 |
0.000 |
37 |
|
[ZN]A:104 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
4616 |
28.9 |
-14.3 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
29.3 |
-14.4 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
38 |
|
[ZN]A:108 |
1 |
1 |
98 |
f |
[ACT]A:107 |
x,y,z |
1_555 |
3 |
1 |
182 |
27.4 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.195 |
39 |
|
[ZN]A:104 |
1 |
1 |
98 |
f |
[ACT]A:101 |
x,y,z |
1_555 |
3 |
1 |
182 |
23.1 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.195 |
40 |
|
[ZN]A:103 |
1 |
1 |
98 |
f |
[ACT]A:109 |
x,y,z |
1_555 |
3 |
1 |
183 |
22.2 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.195 |
41 |
|
[ZN]A:105 |
1 |
1 |
98 |
f |
[ACT]C:101 |
x,y,z |
1_555 |
3 |
1 |
182 |
11.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.195 |
Average: |
21.1 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.195 |
27 |
42 |
|
[ACT]A:101 |
3 |
1 |
182 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
3 |
1 |
4581 |
22.2 |
0.4 |
0.731 |
0 |
0 |
0 |
0.000 |
43 |
|
[ACT]A:109 |
3 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
4616 |
20.9 |
0.3 |
0.794 |
0 |
0 |
0 |
0.000 |
Average: |
21.5 |
0.4 |
0.763 |
0 |
0 |
0 |
0.000 |
28 |
44 |
|
[ZN]A:104 |
1 |
1 |
98 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
4 |
2 |
4581 |
22.1 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.000 |
45 |
|
[ZN]A:103 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
4616 |
22.0 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.000 |
46 |
|
C |
3 |
1 |
4267 |
◊ |
[ZN]B:101 |
-x+1/2,-y+1,z-1/2 |
2_564 |
1 |
1 |
98 |
21.8 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
22.0 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
47 |
|
[ACT]C:101 |
3 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
4267 |
21.7 |
0.4 |
0.797 |
0 |
0 |
0 |
0.000 |
30 |
48 |
|
[EDO]B:103 |
2 |
1 |
186 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
4581 |
18.7 |
0.3 |
0.664 |
0 |
0 |
0 |
0.000 |
31 |
49 |
|
[ZN]A:105 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
3 |
4267 |
16.0 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.000 |
50 |
|
[ZN]A:105 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
4616 |
15.9 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.000 |
51 |
|
[ZN]A:105 |
1 |
1 |
98 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
4 |
3 |
4581 |
15.6 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
15.8 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.000 |
32 |
52 |
|
[ACT]A:109 |
1 |
1 |
183 |
f |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
4616 |
14.8 |
0.5 |
0.691 |
0 |
0 |
0 |
0.000 |
33 |
53 |
|
[ZN]A:105 |
1 |
1 |
98 |
f |
[ZN]B:101 |
-x+1/2,-y+1,z-1/2 |
2_564 |
1 |
1 |
98 |
10.4 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.052 |
34 |
54 |
|
[ZN]A:105 |
1 |
1 |
98 |
f |
[ZN]A:104 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.2 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.051 |
35 |
55 |
|
[ZN]A:105 |
1 |
1 |
98 |
f |
[ZN]A:103 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.2 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.051 |
36 |
56 |
|
[ACT]C:101 |
3 |
1 |
182 |
f |
[ACT]A:109 |
x,y,z |
1_555 |
1 |
1 |
183 |
9.2 |
0.1 |
0.586 |
0 |
0 |
0 |
0.000 |
37 |
57 |
|
[ACT]C:101 |
1 |
1 |
182 |
f |
[ACT]A:101 |
x,y,z |
1_555 |
3 |
1 |
182 |
7.5 |
0.1 |
0.586 |
0 |
0 |
0 |
0.000 |
38 |
58 |
|
[ACT]A:109 |
3 |
1 |
183 |
f |
[ACT]A:101 |
x,y,z |
1_555 |
1 |
1 |
182 |
7.1 |
0.1 |
0.586 |
0 |
0 |
0 |
0.000 |
39 |
59 |
|
[ACT]A:109 |
1 |
1 |
183 |
f |
[ZN]B:101 |
-x+1/2,-y+1,z-1/2 |
2_564 |
1 |
1 |
98 |
5.6 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.021 |
60 |
|
[ZN]A:103 |
1 |
1 |
98 |
f |
[ACT]A:101 |
x,y,z |
1_555 |
1 |
1 |
182 |
4.6 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.021 |
Average: |
5.1 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.021 |
40 |
61 |
|
[ZN]A:104 |
1 |
1 |
98 |
f |
[ACT]C:101 |
x,y,z |
1_555 |
1 |
1 |
182 |
5.5 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.011 |
|