| ## |
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 |
|
E |
62 |
20 |
8606 |
◊ |
B |
-y+1,x-y,z+1/3 |
2_655 |
54 |
15 |
8628 |
556.9 |
-1.3 |
0.633 |
8 |
3 |
0 |
0.000 |
2 |
|
A |
49 |
13 |
8718 |
◊ |
F |
-y+2,x-y,z+1/3 |
2_755 |
62 |
20 |
8637 |
556.3 |
-0.8 |
0.655 |
9 |
2 |
0 |
0.000 |
| Average: |
556.6 |
-1.0 |
0.644 |
9 |
3 |
0 |
0.000 |
| 2 |
3 |
|
C |
77 |
24 |
8684 |
◊ |
A |
x,y,z |
1_555 |
55 |
17 |
8718 |
556.2 |
-7.5 |
0.190 |
8 |
1 |
0 |
0.117 |
4 |
|
D |
74 |
23 |
8780 |
◊ |
B |
x,y,z |
1_555 |
57 |
17 |
8628 |
531.0 |
-8.2 |
0.171 |
8 |
1 |
0 |
0.117 |
5 |
|
F |
49 |
15 |
8637 |
◊ |
B |
x,y,z |
1_555 |
65 |
22 |
8628 |
496.9 |
-8.0 |
0.129 |
8 |
2 |
0 |
0.117 |
6 |
|
E |
53 |
17 |
8606 |
◊ |
A |
x,y,z |
1_555 |
67 |
22 |
8718 |
493.6 |
-7.9 |
0.149 |
8 |
2 |
0 |
0.117 |
| Average: |
519.4 |
-7.9 |
0.160 |
8 |
2 |
0 |
0.117 |
| 3 |
7 |
|
B |
59 |
19 |
8628 |
◊ |
C |
-y+1,x-y,z-2/3 |
2_654 |
57 |
13 |
8684 |
548.2 |
-0.8 |
0.693 |
8 |
2 |
0 |
0.000 |
8 |
|
D |
57 |
12 |
8780 |
◊ |
A |
-y+2,x-y,z-2/3 |
2_754 |
63 |
21 |
8718 |
547.5 |
-1.5 |
0.631 |
10 |
2 |
0 |
0.000 |
| Average: |
547.8 |
-1.1 |
0.662 |
9 |
2 |
0 |
0.000 |
| 4 |
9 |
|
E |
63 |
20 |
8606 |
◊ |
C |
-y+1,x-y,z-2/3 |
2_654 |
39 |
10 |
8684 |
468.5 |
-7.8 |
0.080 |
8 |
1 |
0 |
0.090 |
10 |
|
D |
39 |
9 |
8780 |
◊ |
F |
-y+2,x-y,z-2/3 |
2_754 |
64 |
20 |
8637 |
461.9 |
-6.4 |
0.160 |
8 |
2 |
0 |
0.090 |
| Average: |
465.2 |
-7.1 |
0.120 |
8 |
2 |
0 |
0.090 |
| 5 |
11 |
|
B |
45 |
18 |
8628 |
◊ |
A |
x,y,z |
1_555 |
47 |
19 |
8718 |
422.1 |
2.3 |
0.857 |
5 |
0 |
0 |
0.000 |
| 6 |
12 |
|
D |
41 |
14 |
8780 |
◊ |
F |
-y+2,x-y,z+1/3 |
2_755 |
34 |
8 |
8637 |
306.2 |
-0.3 |
0.662 |
0 |
0 |
0 |
0.000 |
13 |
|
E |
36 |
8 |
8606 |
◊ |
C |
-y+1,x-y,z+1/3 |
2_655 |
37 |
12 |
8684 |
303.7 |
-0.8 |
0.628 |
1 |
0 |
0 |
0.000 |
| Average: |
305.0 |
-0.6 |
0.645 |
1 |
0 |
0 |
0.000 |
| 7 |
14 |
|
B |
14 |
5 |
8628 |
◊ |
A |
x,y,z-1 |
1_554 |
12 |
4 |
8718 |
87.2 |
1.7 |
0.852 |
0 |
0 |
0 |
0.000 |
| 8 |
15 |
|
C |
7 |
3 |
8684 |
◊ |
E |
-y+1,x-y,z+1/3 |
2_655 |
9 |
3 |
8606 |
74.9 |
-0.7 |
0.301 |
1 |
0 |
0 |
0.000 |
16 |
|
F |
8 |
3 |
8637 |
◊ |
D |
-y+2,x-y,z+1/3 |
2_755 |
7 |
3 |
8780 |
72.1 |
-1.0 |
0.326 |
1 |
0 |
0 |
0.000 |
| Average: |
73.5 |
-0.8 |
0.314 |
1 |
0 |
0 |
0.000 |
| 9 |
17 |
|
B |
7 |
2 |
8628 |
◊ |
F |
-y+2,x-y,z+1/3 |
2_755 |
4 |
2 |
8637 |
47.6 |
0.6 |
0.727 |
0 |
0 |
0 |
0.000 |
18 |
|
E |
4 |
1 |
8606 |
◊ |
A |
-y+1,x-y,z+1/3 |
2_655 |
3 |
1 |
8718 |
21.6 |
0.3 |
0.727 |
0 |
0 |
0 |
0.000 |
| Average: |
34.6 |
0.4 |
0.727 |
0 |
0 |
0 |
0.000 |
| 10 |
19 |
|
[ZN]A:901 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
8718 |
46.3 |
-32.8 |
0.000 |
0 |
0 |
0 |
0.484 |
20 |
|
[ZN]E:921 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
7 |
4 |
8606 |
45.5 |
-31.4 |
0.000 |
0 |
0 |
0 |
0.484 |
21 |
|
[ZN]B:906 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
8628 |
45.5 |
-31.3 |
0.000 |
0 |
0 |
0 |
0.484 |
22 |
|
[ZN]D:916 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
8780 |
44.4 |
-30.4 |
0.000 |
0 |
0 |
0 |
0.484 |
23 |
|
[ZN]F:926 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
9 |
5 |
8637 |
44.1 |
-30.6 |
0.000 |
0 |
0 |
0 |
0.484 |
24 |
|
[ZN]C:911 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
8684 |
44.0 |
-30.6 |
0.000 |
0 |
0 |
0 |
0.484 |
| Average: |
45.0 |
-31.2 |
0.000 |
0 |
0 |
0 |
0.484 |
| 11 |
25 |
|
[CA]F:929 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
9 |
7 |
8637 |
46.3 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.190 |
26 |
|
[CA]C:914 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
8 |
7 |
8684 |
46.0 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.190 |
27 |
|
[CA]D:919 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
8 |
6 |
8780 |
45.9 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.190 |
28 |
|
[CA]A:904 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
8718 |
45.7 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.190 |
29 |
|
[CA]E:924 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
8 |
7 |
8606 |
45.7 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.190 |
30 |
|
[CA]B:909 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
6 |
8628 |
45.1 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.190 |
| Average: |
45.8 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.190 |
| 12 |
31 |
|
[CA]B:910 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
8628 |
44.3 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.177 |
32 |
|
[CA]A:905 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
8718 |
43.9 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.177 |
33 |
|
[CA]F:930 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
8 |
5 |
8637 |
43.8 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.177 |
34 |
|
[CA]E:925 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
8 |
5 |
8606 |
43.6 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.177 |
35 |
|
[CA]C:915 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
8684 |
42.8 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.177 |
36 |
|
[CA]D:920 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
8780 |
41.8 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.177 |
| Average: |
43.4 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.177 |
| 13 |
37 |
|
D |
3 |
1 |
8780 |
◊ |
B |
-y+2,x-y,z+1/3 |
2_755 |
4 |
2 |
8628 |
34.3 |
-0.4 |
0.429 |
0 |
0 |
0 |
0.000 |
38 |
|
A |
3 |
2 |
8718 |
◊ |
C |
-y+1,x-y,z+1/3 |
2_655 |
3 |
1 |
8684 |
33.6 |
-0.3 |
0.397 |
0 |
0 |
0 |
0.000 |
| Average: |
33.9 |
-0.4 |
0.413 |
0 |
0 |
0 |
0.000 |
| 14 |
39 |
|
[ZN]C:911 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
8718 |
21.5 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.080 |
40 |
|
[ZN]D:916 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
8628 |
20.3 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.080 |
41 |
|
[ZN]B:906 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
8637 |
18.8 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.080 |
42 |
|
[ZN]A:901 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
8606 |
17.0 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.080 |
| Average: |
19.4 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.080 |
| 15 |
43 |
|
D |
3 |
1 |
8780 |
◊ |
[ZN]F:926 |
-y+2,x-y,z-2/3 |
2_754 |
1 |
1 |
98 |
20.7 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.071 |
44 |
|
[ZN]E:921 |
1 |
1 |
98 |
◊ |
C |
-y+1,x-y,z-2/3 |
2_654 |
2 |
1 |
8684 |
18.6 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.071 |
| Average: |
19.7 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.071 |
| 16 |
45 |
|
E |
3 |
1 |
8606 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
8684 |
16.4 |
-0.1 |
0.521 |
0 |
0 |
0 |
0.000 |
46 |
|
F |
3 |
1 |
8637 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
8780 |
15.8 |
-0.1 |
0.550 |
0 |
0 |
0 |
0.000 |
| Average: |
16.1 |
-0.1 |
0.535 |
0 |
0 |
0 |
0.001 |
| 17 |
47 |
|
[CA]D:920 |
1 |
1 |
85 |
◊ |
F |
-y+2,x-y,z+1/3 |
2_755 |
3 |
1 |
8637 |
10.6 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
48 |
|
E |
3 |
1 |
8606 |
◊ |
[CA]C:915 |
-y+1,x-y,z+1/3 |
2_655 |
1 |
1 |
85 |
10.1 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
10.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 18 |
49 |
|
[CA]D:918 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
8628 |
0.4 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|