| ## |
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 |
91 |
24 |
14858 |
◊ |
A |
x,y,z |
1_555 |
97 |
24 |
15634 |
836.9 |
-0.4 |
0.663 |
15 |
16 |
0 |
0.000 |
2 |
|
D |
92 |
24 |
14939 |
◊ |
B |
x,y,z |
1_555 |
97 |
24 |
15011 |
836.0 |
-2.2 |
0.548 |
13 |
12 |
0 |
0.000 |
| Average: |
836.4 |
-1.3 |
0.605 |
14 |
14 |
0 |
0.000 |
| 2 |
3 |
|
B |
70 |
20 |
15011 |
◊ |
A |
x,y,z |
1_555 |
63 |
20 |
15634 |
629.9 |
-0.4 |
0.636 |
10 |
6 |
0 |
0.000 |
4 |
|
D |
65 |
19 |
14939 |
◊ |
C |
x,y,z |
1_555 |
55 |
18 |
14858 |
577.0 |
1.7 |
0.758 |
12 |
6 |
0 |
0.000 |
| Average: |
603.5 |
0.6 |
0.697 |
11 |
6 |
0 |
0.000 |
| 3 |
5 |
|
[IHM]D:1 |
38 |
1 |
801 |
f |
D |
x,y,z |
1_555 |
71 |
28 |
14939 |
552.8 |
-11.6 |
0.205 |
5 |
0 |
0 |
0.015 |
6 |
|
[IHM]A:1 |
38 |
1 |
803 |
f |
A |
x,y,z |
1_555 |
71 |
26 |
15634 |
546.5 |
-11.3 |
0.266 |
4 |
0 |
0 |
0.015 |
7 |
|
[IHM]B:1 |
38 |
1 |
795 |
f |
B |
x,y,z |
1_555 |
72 |
27 |
15011 |
546.2 |
-11.5 |
0.229 |
5 |
0 |
0 |
0.015 |
8 |
|
[IHM]C:1 |
38 |
1 |
802 |
f |
C |
x,y,z |
1_555 |
66 |
26 |
14858 |
544.5 |
-11.6 |
0.238 |
5 |
0 |
0 |
0.015 |
| Average: |
547.5 |
-11.5 |
0.234 |
5 |
0 |
0 |
0.015 |
| 4 |
9 |
|
D |
55 |
17 |
14939 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
52 |
12 |
15634 |
488.8 |
-5.4 |
0.189 |
2 |
1 |
0 |
0.000 |
| 5 |
10 |
|
C |
56 |
17 |
14858 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
36 |
9 |
15634 |
430.3 |
-3.1 |
0.344 |
4 |
0 |
0 |
0.000 |
| 6 |
11 |
|
C |
30 |
9 |
14858 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
46 |
15 |
15011 |
384.6 |
-1.4 |
0.347 |
2 |
1 |
0 |
0.000 |
| 7 |
12 |
|
D |
27 |
8 |
14939 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
30 |
8 |
14858 |
254.0 |
-0.8 |
0.538 |
3 |
0 |
0 |
0.000 |
| 8 |
13 |
|
B |
29 |
9 |
15011 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
25 |
6 |
15634 |
236.0 |
-0.9 |
0.438 |
5 |
0 |
0 |
0.000 |
| 9 |
14 |
|
D |
22 |
5 |
14939 |
◊ |
A |
x,y,z |
1_555 |
19 |
5 |
15634 |
205.1 |
4.0 |
0.936 |
6 |
10 |
0 |
0.000 |
| 10 |
15 |
|
C |
11 |
4 |
14858 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
15011 |
100.1 |
2.7 |
0.922 |
2 |
4 |
0 |
0.000 |
| 11 |
16 |
|
B |
8 |
2 |
15011 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
14 |
4 |
15011 |
85.0 |
-0.1 |
0.594 |
0 |
0 |
0 |
0.000 |
| 12 |
17 |
|
D |
6 |
3 |
14939 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
10 |
4 |
15011 |
71.8 |
-0.3 |
0.528 |
0 |
0 |
0 |
0.000 |
| 13 |
18 |
|
[ZN]C:506 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
18 |
9 |
14858 |
52.6 |
-27.7 |
0.000 |
0 |
0 |
0 |
0.030 |
19 |
|
[ZN]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
15634 |
52.1 |
-27.5 |
0.000 |
0 |
0 |
0 |
0.030 |
20 |
|
[ZN]D:508 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
16 |
8 |
14939 |
52.1 |
-28.0 |
0.000 |
0 |
0 |
0 |
0.030 |
21 |
|
[ZN]B:504 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
15011 |
52.0 |
-27.5 |
0.000 |
0 |
0 |
0 |
0.030 |
| Average: |
52.2 |
-27.7 |
0.000 |
0 |
0 |
0 |
0.030 |
| 14 |
22 |
|
D |
9 |
4 |
14939 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
3 |
2 |
15011 |
45.2 |
-0.1 |
0.523 |
0 |
0 |
0 |
0.000 |
| 15 |
23 |
|
[ZN]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
15634 |
42.4 |
-31.0 |
0.000 |
0 |
0 |
0 |
0.034 |
24 |
|
[ZN]B:503 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
15011 |
42.4 |
-31.1 |
0.000 |
0 |
0 |
0 |
0.034 |
25 |
|
[ZN]D:507 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
14939 |
42.3 |
-31.6 |
0.000 |
0 |
0 |
0 |
0.034 |
26 |
|
[ZN]C:505 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
14858 |
42.0 |
-31.2 |
0.000 |
0 |
0 |
0 |
0.034 |
| Average: |
42.3 |
-31.2 |
0.000 |
0 |
0 |
0 |
0.034 |
| 16 |
27 |
|
[ZN]A:502 |
1 |
1 |
98 |
f |
[IHM]A:1 |
x,y,z |
1_555 |
5 |
1 |
803 |
17.6 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.008 |
28 |
|
[ZN]B:504 |
1 |
1 |
98 |
f |
[IHM]B:1 |
x,y,z |
1_555 |
5 |
1 |
795 |
17.4 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.008 |
29 |
|
[ZN]C:506 |
1 |
1 |
98 |
f |
[IHM]C:1 |
x,y,z |
1_555 |
5 |
1 |
802 |
17.3 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.008 |
30 |
|
[ZN]D:508 |
1 |
1 |
98 |
f |
[IHM]D:1 |
x,y,z |
1_555 |
5 |
1 |
801 |
17.2 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.008 |
| Average: |
17.4 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.008 |
| 17 |
31 |
|
[ZN]C:506 |
1 |
1 |
98 |
f |
[ZN]C:505 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.0 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.011 |
| 18 |
32 |
|
[ZN]A:502 |
1 |
1 |
98 |
f |
[ZN]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.9 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.011 |
| 19 |
33 |
|
[ZN]B:504 |
1 |
1 |
98 |
f |
[ZN]B:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.9 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.011 |
| 20 |
34 |
|
[ZN]D:508 |
1 |
1 |
98 |
f |
[ZN]D:507 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.3 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.011 |
| 21 |
35 |
|
[ZN]A:501 |
1 |
1 |
98 |
f |
[IHM]A:1 |
x,y,z |
1_555 |
2 |
1 |
803 |
10.4 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.004 |
36 |
|
[ZN]B:503 |
1 |
1 |
98 |
f |
[IHM]B:1 |
x,y,z |
1_555 |
2 |
1 |
795 |
9.8 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.004 |
37 |
|
[ZN]C:505 |
1 |
1 |
98 |
f |
[IHM]C:1 |
x,y,z |
1_555 |
2 |
1 |
802 |
9.7 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.004 |
38 |
|
[ZN]D:507 |
1 |
1 |
98 |
f |
[IHM]D:1 |
x,y,z |
1_555 |
2 |
1 |
801 |
9.1 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.004 |
| Average: |
9.8 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.004 |
| 22 |
39 |
|
D |
1 |
1 |
14939 |
x |
D |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
14939 |
2.3 |
-0.0 |
0.631 |
0 |
0 |
0 |
0.000 |
|