| ## |
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 |
|
A |
95 |
25 |
13556 |
x |
A |
x-1,y,z |
1_455 |
89 |
26 |
13556 |
845.8 |
-0.2 |
0.515 |
11 |
1 |
0 |
0.000 |
2 |
|
B |
101 |
23 |
13610 |
x |
B |
x-1,y,z |
1_455 |
82 |
23 |
13610 |
820.6 |
-1.0 |
0.457 |
10 |
1 |
0 |
0.000 |
| Average: |
833.2 |
-0.6 |
0.486 |
11 |
1 |
0 |
0.000 |
| 2 |
3 |
|
[8Q8]A:403 |
33 |
1 |
759 |
f |
A |
x,y,z |
1_555 |
65 |
26 |
13556 |
478.2 |
1.6 |
0.128 |
6 |
0 |
0 |
0.022 |
4 |
|
[8Q8]B:403 |
32 |
1 |
761 |
f |
B |
x,y,z |
1_555 |
63 |
26 |
13610 |
472.1 |
0.0 |
0.074 |
7 |
0 |
0 |
0.022 |
| Average: |
475.1 |
0.8 |
0.101 |
7 |
0 |
0 |
0.022 |
| 3 |
5 |
|
B |
49 |
12 |
13610 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
59 |
19 |
13610 |
474.5 |
0.2 |
0.500 |
6 |
2 |
0 |
0.000 |
| 4 |
6 |
|
B |
47 |
16 |
13610 |
◊ |
A |
x,y,z |
1_555 |
38 |
12 |
13556 |
395.0 |
2.4 |
0.730 |
4 |
2 |
0 |
0.000 |
| 5 |
7 |
|
B |
45 |
8 |
13610 |
◊ |
A |
x,y,z-1 |
1_554 |
49 |
9 |
13556 |
337.1 |
-1.4 |
0.415 |
4 |
1 |
0 |
0.018 |
| 6 |
8 |
|
A |
35 |
10 |
13556 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
29 |
7 |
13610 |
273.7 |
1.5 |
0.606 |
6 |
1 |
0 |
0.000 |
| 7 |
9 |
|
A |
16 |
5 |
13556 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
19 |
5 |
13556 |
145.0 |
0.2 |
0.580 |
2 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[CL]B:404 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
13610 |
73.4 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.118 |
11 |
|
[CL]A:404 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
13556 |
71.5 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.118 |
| Average: |
72.4 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.118 |
| 9 |
12 |
|
[8Q8]B:403 |
4 |
1 |
761 |
◊ |
[8Q8]A:403 |
x,y,z-1 |
1_554 |
5 |
1 |
759 |
44.7 |
0.4 |
0.346 |
0 |
0 |
0 |
0.000 |
| 10 |
13 |
|
[ZN]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
13610 |
36.8 |
-26.6 |
0.000 |
0 |
0 |
0 |
0.285 |
14 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
13556 |
36.5 |
-26.6 |
0.000 |
0 |
0 |
0 |
0.285 |
| Average: |
36.6 |
-26.6 |
0.000 |
0 |
0 |
0 |
0.285 |
| 11 |
15 |
|
[8Q8]B:403 |
5 |
1 |
761 |
◊ |
A |
x,y,z-1 |
1_554 |
5 |
2 |
13556 |
35.4 |
0.6 |
0.568 |
1 |
0 |
0 |
0.000 |
| 12 |
16 |
|
[8Q8]A:403 |
4 |
1 |
759 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.8 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.144 |
17 |
|
[8Q8]B:403 |
4 |
1 |
761 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.3 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.144 |
| Average: |
31.5 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.144 |
| 13 |
18 |
|
[8Q8]B:403 |
5 |
1 |
761 |
◊ |
[ZN]B:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.5 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.175 |
19 |
|
[8Q8]A:403 |
3 |
1 |
759 |
◊ |
[ZN]A:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.3 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.175 |
20 |
|
[8Q8]B:403 |
3 |
1 |
761 |
◊ |
[ZN]A:402 |
x,y,z-1 |
1_554 |
1 |
1 |
98 |
23.6 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.175 |
21 |
|
[ZN]B:402 |
1 |
1 |
98 |
◊ |
[8Q8]A:403 |
x,y,z-1 |
1_554 |
3 |
1 |
759 |
23.4 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.175 |
| Average: |
24.2 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.175 |
| 14 |
22 |
|
B |
3 |
2 |
13610 |
◊ |
[8Q8]A:403 |
x,y,z-1 |
1_554 |
2 |
1 |
759 |
23.9 |
-0.2 |
0.472 |
0 |
0 |
0 |
0.000 |
| 15 |
23 |
|
A |
3 |
1 |
13556 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
3 |
1 |
13610 |
23.3 |
0.3 |
0.678 |
0 |
0 |
0 |
0.000 |
| 16 |
24 |
|
[ZN]A:402 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
13556 |
20.6 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.169 |
25 |
|
[ZN]B:402 |
1 |
1 |
98 |
c |
A |
x,y,z-1 |
1_554 |
6 |
3 |
13556 |
19.7 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.169 |
26 |
|
B |
3 |
2 |
13610 |
c |
[ZN]A:402 |
x,y,z-1 |
1_554 |
1 |
1 |
98 |
18.2 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.169 |
27 |
|
[ZN]B:402 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
13610 |
17.3 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.169 |
| Average: |
18.9 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.169 |
| 17 |
28 |
|
[ZN]B:402 |
1 |
1 |
98 |
f |
[ZN]A:402 |
x,y,z-1 |
1_554 |
1 |
1 |
98 |
16.8 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.100 |
| 18 |
29 |
|
A |
2 |
2 |
13556 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
2 |
2 |
13556 |
15.9 |
0.5 |
0.623 |
0 |
0 |
0 |
0.000 |
| 19 |
30 |
|
B |
1 |
1 |
13610 |
x |
B |
-x,y-1/2,-z |
2_545 |
2 |
1 |
13610 |
9.3 |
0.2 |
0.570 |
0 |
0 |
0 |
0.000 |
| 20 |
31 |
|
A |
3 |
2 |
13556 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
13610 |
7.7 |
-0.2 |
0.342 |
0 |
0 |
0 |
0.000 |
|