## |
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 |
54 |
12 |
3065 |
◊ |
A |
x,y,z |
1_555 |
65 |
14 |
3044 |
574.3 |
-10.9 |
0.366 |
2 |
2 |
0 |
0.000 |
2 |
|
C |
53 |
13 |
3065 |
◊ |
B |
x,y,z |
1_555 |
54 |
12 |
3019 |
527.8 |
-9.3 |
0.368 |
1 |
1 |
0 |
0.000 |
3 |
|
B |
55 |
13 |
3019 |
◊ |
A |
x,y,z |
1_555 |
47 |
12 |
3044 |
522.8 |
-11.4 |
0.242 |
1 |
2 |
0 |
0.000 |
Average: |
541.6 |
-10.5 |
0.325 |
1 |
2 |
0 |
0.000 |
2 |
4 |
|
C |
29 |
8 |
3065 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
30 |
8 |
3044 |
277.8 |
-4.9 |
0.464 |
1 |
0 |
0 |
0.000 |
3 |
5 |
|
B |
20 |
7 |
3019 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
21 |
4 |
3019 |
187.8 |
-0.5 |
0.751 |
0 |
1 |
0 |
0.000 |
4 |
6 |
|
C |
19 |
4 |
3065 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
19 |
6 |
3019 |
134.0 |
-2.1 |
0.575 |
0 |
0 |
0 |
0.000 |
5 |
7 |
|
A |
12 |
3 |
3044 |
◊ |
A |
-x,y,-z+1 |
2_556 |
12 |
3 |
3044 |
113.7 |
-0.5 |
0.670 |
2 |
0 |
0 |
0.000 |
8 |
|
C |
14 |
3 |
3065 |
◊ |
B |
-x,y,-z+1 |
2_556 |
11 |
3 |
3019 |
100.9 |
-1.6 |
0.498 |
1 |
0 |
0 |
0.000 |
Average: |
107.3 |
-1.1 |
0.584 |
2 |
0 |
0 |
0.000 |
6 |
9 |
|
A |
11 |
4 |
3044 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
15 |
5 |
3019 |
88.3 |
1.9 |
0.907 |
1 |
4 |
0 |
0.000 |
7 |
10 |
|
[ACE]A:0 |
3 |
1 |
172 |
c |
A |
x,y,z |
1_555 |
10 |
3 |
3044 |
71.0 |
-0.4 |
0.809 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
C |
7 |
1 |
3065 |
◊ |
C |
-x,y,-z+1 |
2_556 |
7 |
1 |
3065 |
64.1 |
-2.1 |
0.204 |
0 |
0 |
0 |
0.000 |
9 |
12 |
|
[ACT]C:32 |
4 |
1 |
183 |
◊ |
A |
-x,y,-z |
2_555 |
12 |
3 |
3044 |
62.6 |
-1.2 |
0.592 |
0 |
0 |
0 |
0.000 |
10 |
13 |
|
[ACE]B:0 |
3 |
1 |
172 |
c |
B |
x,y,z |
1_555 |
10 |
4 |
3019 |
59.1 |
-0.1 |
0.827 |
2 |
0 |
0 |
0.000 |
11 |
14 |
|
[ACE]C:0 |
3 |
1 |
171 |
c |
C |
x,y,z |
1_555 |
7 |
3 |
3065 |
54.7 |
-0.2 |
0.810 |
2 |
0 |
0 |
0.000 |
12 |
15 |
|
[NH2]B:30 |
1 |
1 |
117 |
c |
B |
x,y,z |
1_555 |
8 |
4 |
3019 |
54.5 |
0.6 |
0.786 |
0 |
0 |
0 |
0.000 |
13 |
16 |
|
[NH2]A:30 |
1 |
1 |
117 |
c |
A |
x,y,z |
1_555 |
9 |
4 |
3044 |
49.8 |
0.7 |
0.814 |
0 |
0 |
0 |
0.000 |
17 |
|
[NH2]C:30 |
1 |
1 |
117 |
c |
C |
x,y,z |
1_555 |
8 |
4 |
3065 |
48.3 |
0.6 |
0.806 |
0 |
0 |
0 |
0.000 |
Average: |
49.0 |
0.6 |
0.810 |
0 |
0 |
0 |
0.000 |
14 |
18 |
|
A |
6 |
4 |
3044 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
4 |
2 |
3065 |
48.2 |
1.4 |
0.884 |
1 |
2 |
0 |
0.000 |
15 |
19 |
|
[ACE]B:0 |
3 |
1 |
172 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
12 |
4 |
3019 |
47.6 |
-1.3 |
0.641 |
0 |
0 |
0 |
0.000 |
16 |
20 |
|
A |
6 |
2 |
3044 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
5 |
2 |
3044 |
45.8 |
0.8 |
0.827 |
1 |
1 |
0 |
0.000 |
17 |
21 |
|
A |
4 |
1 |
3044 |
◊ |
B |
x,y,z-1 |
1_554 |
6 |
2 |
3019 |
42.4 |
0.9 |
0.826 |
1 |
2 |
0 |
0.000 |
18 |
22 |
|
[ACT]C:32 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
3065 |
41.5 |
0.0 |
0.728 |
1 |
0 |
0 |
0.000 |
19 |
23 |
|
B |
4 |
2 |
3019 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
5 |
2 |
3044 |
40.7 |
0.4 |
0.768 |
1 |
1 |
0 |
0.000 |
20 |
24 |
|
[ACE]A:0 |
2 |
1 |
172 |
◊ |
A |
-x,y,-z+1 |
2_556 |
4 |
2 |
3044 |
40.2 |
-0.2 |
0.748 |
0 |
0 |
0 |
0.000 |
21 |
25 |
|
[NH2]C:30 |
1 |
1 |
117 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
9 |
4 |
3044 |
38.2 |
-0.1 |
0.749 |
0 |
0 |
0 |
0.000 |
26 |
|
C |
5 |
2 |
3065 |
◊ |
[NH2]A:30 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
117 |
36.2 |
-0.0 |
0.699 |
0 |
0 |
0 |
0.000 |
Average: |
37.2 |
-0.0 |
0.724 |
0 |
0 |
0 |
0.000 |
22 |
27 |
|
[ZN]A:32 |
1 |
1 |
98 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
7 |
3 |
3065 |
36.1 |
-18.9 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
|
[ZN]A:34 |
1 |
1 |
98 |
c |
B |
-x+1/2,y-1/2,-z |
4_545 |
9 |
4 |
3019 |
24.3 |
-14.0 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
|
[ZN]A:35 |
1 |
1 |
98 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
9 |
4 |
3019 |
24.3 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
|
[ZN]A:35 |
1 |
1 |
98 |
c |
A |
x,y,z |
1_555 |
7 |
3 |
3044 |
23.8 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.000 |
31 |
|
[ZN]A:34 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
3044 |
21.9 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
26.1 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.000 |
23 |
32 |
|
[ACE]C:0 |
3 |
1 |
171 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
10 |
2 |
3019 |
35.1 |
-0.8 |
0.641 |
0 |
0 |
0 |
0.000 |
24 |
33 |
|
[ZN]B:31 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
3019 |
34.2 |
-16.3 |
0.000 |
0 |
0 |
0 |
0.000 |
34 |
|
[ZN]C:31 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
3065 |
33.6 |
-15.7 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
|
[ZN]A:33 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
3044 |
32.6 |
-15.3 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
33.5 |
-15.8 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
36 |
|
C |
6 |
3 |
3065 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
2 |
3019 |
33.5 |
0.1 |
0.735 |
0 |
0 |
0 |
0.000 |
26 |
37 |
|
C |
3 |
1 |
3065 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
5 |
2 |
3019 |
33.2 |
0.9 |
0.853 |
1 |
1 |
0 |
0.000 |
27 |
38 |
|
C |
6 |
2 |
3065 |
◊ |
[NH2]B:30 |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
117 |
33.2 |
0.0 |
0.752 |
0 |
0 |
0 |
0.000 |
28 |
39 |
|
[ACE]A:0 |
1 |
1 |
172 |
◊ |
[ACE]A:0 |
-x,y,-z+1 |
2_556 |
1 |
1 |
172 |
31.8 |
-1.0 |
0.667 |
0 |
0 |
0 |
0.000 |
29 |
40 |
|
C |
3 |
1 |
3065 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
5 |
2 |
3065 |
31.4 |
0.8 |
0.838 |
2 |
2 |
0 |
0.000 |
30 |
41 |
|
[ZN]C:31 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
3019 |
30.6 |
-15.2 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
|
[ZN]A:33 |
1 |
1 |
98 |
c |
C |
x,y,z |
1_555 |
3 |
1 |
3065 |
28.0 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
|
[ZN]B:31 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
3044 |
14.4 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
24.3 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.000 |
31 |
44 |
|
[ZN]A:33 |
1 |
1 |
98 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
3 |
1 |
3065 |
29.9 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.000 |
45 |
|
[ZN]A:31 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
3044 |
25.5 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
27.7 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.000 |
32 |
46 |
|
C |
5 |
2 |
3065 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
1 |
3044 |
28.9 |
0.3 |
0.742 |
0 |
0 |
0 |
0.000 |
33 |
47 |
|
[ACT]C:32 |
3 |
1 |
183 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
6 |
1 |
3019 |
28.5 |
-0.4 |
0.686 |
0 |
0 |
0 |
0.000 |
34 |
48 |
|
[ACE]B:0 |
2 |
1 |
172 |
◊ |
C |
-x,y,-z+1 |
2_556 |
5 |
3 |
3065 |
28.2 |
-0.2 |
0.840 |
0 |
0 |
0 |
0.000 |
35 |
49 |
|
C |
6 |
2 |
3065 |
◊ |
[ZN]B:31 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
98 |
26.9 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.000 |
50 |
|
[ZN]A:31 |
1 |
1 |
98 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
5 |
2 |
3019 |
26.7 |
-14.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
26.8 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
51 |
|
[ZN]A:31 |
1 |
1 |
98 |
◊ |
B |
x,y,z-1 |
1_554 |
3 |
1 |
3019 |
23.3 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.000 |
37 |
52 |
|
[ZN]A:32 |
1 |
1 |
98 |
◊ |
A |
-x,y,-z+1 |
2_556 |
4 |
1 |
3044 |
22.5 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.000 |
38 |
53 |
|
[ACT]C:32 |
3 |
1 |
183 |
◊ |
[ACE]C:0 |
x,y,z |
1_555 |
3 |
1 |
171 |
21.4 |
-0.0 |
0.863 |
0 |
0 |
0 |
0.000 |
39 |
54 |
|
C |
3 |
1 |
3065 |
◊ |
A |
-x,y,-z+1 |
2_556 |
2 |
1 |
3044 |
20.0 |
-0.6 |
0.349 |
0 |
0 |
0 |
0.000 |
40 |
55 |
|
[ZN]A:35 |
1 |
1 |
98 |
◊ |
[ZN]A:34 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.0 |
-15.2 |
0.000 |
0 |
0 |
0 |
0.000 |
41 |
56 |
|
[ZN]A:32 |
1 |
1 |
98 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
3 |
1 |
3019 |
16.5 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.000 |
57 |
|
[ZN]A:35 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
3065 |
11.6 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.000 |
58 |
|
[ZN]A:34 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
3065 |
8.4 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
59 |
|
[ZN]A:35 |
1 |
1 |
98 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
3044 |
0.5 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
9.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
60 |
|
[ACE]C:0 |
1 |
1 |
171 |
◊ |
[ACE]B:0 |
-x,y,-z+1 |
2_556 |
1 |
1 |
172 |
15.6 |
-0.5 |
0.667 |
0 |
0 |
0 |
0.000 |
43 |
61 |
|
[ZN]A:32 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
3044 |
13.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.000 |
44 |
62 |
|
C |
2 |
1 |
3065 |
◊ |
A |
-x,y,-z |
2_555 |
3 |
2 |
3044 |
11.6 |
0.2 |
0.754 |
0 |
0 |
0 |
0.000 |
45 |
63 |
|
[ZN]C:31 |
1 |
1 |
98 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
1 |
3019 |
11.0 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.000 |
46 |
64 |
|
[ZN]A:31 |
1 |
1 |
98 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
3044 |
9.4 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.000 |
65 |
|
B |
1 |
1 |
3019 |
◊ |
[ZN]B:31 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
98 |
1.1 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
5.2 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
47 |
66 |
|
[ACE]C:0 |
1 |
1 |
171 |
◊ |
A |
-x,y,-z |
2_555 |
2 |
1 |
3044 |
7.3 |
-0.0 |
0.722 |
0 |
0 |
0 |
0.000 |
48 |
67 |
|
[ACE]C:0 |
2 |
1 |
171 |
◊ |
B |
-x,y,-z+1 |
2_556 |
4 |
3 |
3019 |
7.1 |
-0.1 |
0.802 |
0 |
0 |
0 |
0.000 |
49 |
68 |
|
[ZN]A:34 |
1 |
1 |
98 |
◊ |
[ACE]C:0 |
-x,y,-z |
2_555 |
1 |
1 |
171 |
6.9 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
69 |
|
[ZN]A:35 |
1 |
1 |
98 |
◊ |
[ACE]C:0 |
-x,y,-z |
2_555 |
1 |
1 |
171 |
3.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
5.2 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
50 |
70 |
|
[ACT]C:32 |
2 |
1 |
183 |
◊ |
[ZN]A:34 |
-x,y,-z |
2_555 |
1 |
1 |
98 |
6.5 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
71 |
|
[ACT]C:32 |
2 |
1 |
183 |
◊ |
[ZN]A:35 |
-x,y,-z |
2_555 |
1 |
1 |
98 |
4.5 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
5.5 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
51 |
72 |
|
[ACT]C:32 |
1 |
1 |
183 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
3 |
1 |
3065 |
3.7 |
-0.0 |
0.570 |
0 |
0 |
0 |
0.000 |
52 |
73 |
|
[ZN]A:35 |
1 |
1 |
98 |
◊ |
[ZN]A:31 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.3 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
53 |
74 |
|
[ZN]A:34 |
1 |
1 |
98 |
◊ |
[ZN]A:31 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.4 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
54 |
75 |
|
[ZN]A:31 |
1 |
1 |
98 |
◊ |
[ACE]B:0 |
x,y,z-1 |
1_554 |
1 |
1 |
172 |
1.9 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
|