## |
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 |
|
B |
187 |
59 |
19467 |
◊ |
A |
x,y,z |
1_555 |
168 |
51 |
18682 |
1727.9 |
-18.1 |
0.633 |
15 |
5 |
0 |
0.172 |
2 |
|
C |
188 |
60 |
18891 |
◊ |
B |
x,y,z |
1_555 |
168 |
49 |
19467 |
1720.0 |
-20.0 |
0.501 |
13 |
5 |
0 |
0.172 |
3 |
|
C |
168 |
49 |
18891 |
◊ |
A |
x,y,z |
1_555 |
184 |
58 |
18682 |
1693.7 |
-18.3 |
0.648 |
12 |
5 |
0 |
0.172 |
Average: |
1713.9 |
-18.8 |
0.594 |
13 |
5 |
0 |
0.172 |
2 |
4 |
|
[ATP]A:409 |
23 |
1 |
574 |
◊ |
B |
x,y,z |
1_555 |
36 |
11 |
19467 |
304.1 |
2.0 |
0.855 |
9 |
0 |
0 |
0.013 |
5 |
|
[ATP]B:407 |
24 |
1 |
573 |
◊ |
C |
x,y,z |
1_555 |
37 |
11 |
18891 |
297.2 |
2.1 |
0.855 |
9 |
0 |
0 |
0.013 |
6 |
|
[ATP]C:401 |
25 |
1 |
565 |
◊ |
A |
x,y,z |
1_555 |
34 |
10 |
18682 |
293.5 |
2.6 |
0.876 |
10 |
0 |
0 |
0.013 |
Average: |
298.3 |
2.2 |
0.862 |
9 |
0 |
0 |
0.013 |
3 |
7 |
|
A |
32 |
14 |
18682 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
28 |
13 |
19467 |
289.7 |
1.1 |
0.909 |
2 |
2 |
0 |
0.000 |
4 |
8 |
|
B |
26 |
13 |
19467 |
x |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
19 |
5 |
19467 |
213.5 |
1.0 |
0.890 |
4 |
0 |
0 |
0.000 |
5 |
9 |
|
[ATP]B:407 |
17 |
1 |
573 |
f |
B |
x,y,z |
1_555 |
27 |
11 |
19467 |
172.6 |
-1.8 |
0.559 |
7 |
0 |
0 |
0.039 |
10 |
|
[ATP]C:401 |
13 |
1 |
565 |
f |
C |
x,y,z |
1_555 |
24 |
11 |
18891 |
169.0 |
-2.0 |
0.506 |
6 |
0 |
0 |
0.039 |
11 |
|
[ATP]A:409 |
17 |
1 |
574 |
f |
A |
x,y,z |
1_555 |
23 |
10 |
18682 |
168.4 |
-1.6 |
0.603 |
6 |
0 |
0 |
0.039 |
Average: |
170.0 |
-1.8 |
0.556 |
6 |
0 |
0 |
0.039 |
6 |
12 |
|
[NAG]C:402 |
9 |
1 |
366 |
cf |
C |
x,y,z |
1_555 |
13 |
5 |
18891 |
115.5 |
3.8 |
0.520 |
0 |
0 |
0 |
0.000 |
13 |
|
[NAG]B:401 |
8 |
1 |
357 |
cf |
B |
x,y,z |
1_555 |
12 |
4 |
19467 |
104.6 |
3.6 |
0.497 |
0 |
0 |
0 |
0.000 |
Average: |
110.0 |
3.7 |
0.508 |
0 |
0 |
0 |
0.000 |
7 |
14 |
|
[NAG]A:401 |
8 |
1 |
360 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
19 |
5 |
19467 |
109.6 |
1.6 |
0.345 |
0 |
0 |
0 |
0.000 |
8 |
15 |
|
A |
18 |
5 |
18682 |
◊ |
[NAG]B:402 |
x-1/2,-y-1/2,-z |
4_445 |
8 |
1 |
364 |
108.3 |
1.7 |
0.428 |
0 |
0 |
0 |
0.000 |
9 |
16 |
|
[NAG]A:402 |
10 |
1 |
365 |
cf |
A |
x,y,z |
1_555 |
14 |
5 |
18682 |
103.5 |
2.9 |
0.333 |
1 |
0 |
0 |
0.000 |
10 |
17 |
|
[NAG]B:401 |
11 |
1 |
357 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
18682 |
100.5 |
-0.2 |
0.081 |
0 |
0 |
0 |
0.000 |
18 |
|
[NAG]C:402 |
11 |
1 |
366 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
19467 |
100.4 |
-0.2 |
0.093 |
0 |
0 |
0 |
0.000 |
Average: |
100.4 |
-0.2 |
0.087 |
0 |
0 |
0 |
0.001 |
11 |
19 |
|
[NAG]A:401 |
8 |
1 |
360 |
cf |
A |
x,y,z |
1_555 |
11 |
3 |
18682 |
96.6 |
3.0 |
0.467 |
0 |
0 |
0 |
0.000 |
12 |
20 |
|
[NAG]B:402 |
7 |
1 |
364 |
cf |
B |
x,y,z |
1_555 |
10 |
3 |
19467 |
94.0 |
3.1 |
0.609 |
0 |
0 |
0 |
0.000 |
13 |
21 |
|
[NAG]A:402 |
8 |
1 |
365 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
18891 |
82.0 |
0.8 |
0.259 |
0 |
0 |
0 |
0.000 |
14 |
22 |
|
B |
7 |
3 |
19467 |
◊ |
[NAG]B:402 |
x-1/2,-y-1/2,-z |
4_445 |
4 |
1 |
364 |
54.1 |
1.1 |
0.555 |
0 |
0 |
0 |
0.000 |
15 |
23 |
|
[ZN]A:408 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
18682 |
51.8 |
-28.2 |
0.000 |
0 |
0 |
0 |
0.241 |
24 |
|
[ZN]C:405 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
3 |
18891 |
51.7 |
-28.5 |
0.000 |
0 |
0 |
0 |
0.241 |
25 |
|
[ZN]B:405 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
19467 |
48.7 |
-26.5 |
0.000 |
0 |
0 |
0 |
0.241 |
Average: |
50.7 |
-27.8 |
0.000 |
0 |
0 |
0 |
0.241 |
16 |
26 |
|
[NAG]A:401 |
4 |
1 |
360 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
7 |
3 |
18891 |
48.9 |
0.3 |
0.308 |
0 |
0 |
0 |
0.000 |
17 |
27 |
|
[ZN]C:404 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
10 |
5 |
18891 |
47.5 |
-26.4 |
0.000 |
0 |
0 |
0 |
0.223 |
28 |
|
[ZN]A:404 |
1 |
1 |
98 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
8 |
3 |
19467 |
40.4 |
-24.0 |
0.000 |
0 |
0 |
0 |
0.223 |
29 |
|
[ZN]A:405 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
18682 |
39.9 |
-22.8 |
0.000 |
0 |
0 |
0 |
0.223 |
Average: |
42.6 |
-24.4 |
0.000 |
0 |
0 |
0 |
0.223 |
18 |
30 |
|
[ZN]A:406 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
18891 |
47.3 |
-24.9 |
0.000 |
0 |
0 |
0 |
0.210 |
31 |
|
[ZN]B:404 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
19467 |
47.2 |
-24.5 |
0.000 |
0 |
0 |
0 |
0.210 |
32 |
|
[ZN]A:407 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
18682 |
46.4 |
-23.7 |
0.000 |
0 |
0 |
0 |
0.210 |
Average: |
47.0 |
-24.3 |
0.000 |
0 |
0 |
0 |
0.210 |
19 |
33 |
|
[ZN]C:403 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
18891 |
43.7 |
-21.9 |
0.000 |
0 |
0 |
0 |
0.185 |
34 |
|
[ZN]A:403 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
18682 |
43.4 |
-22.4 |
0.000 |
0 |
0 |
0 |
0.185 |
35 |
|
[ZN]B:403 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
19467 |
42.6 |
-21.4 |
0.000 |
0 |
0 |
0 |
0.185 |
Average: |
43.3 |
-21.9 |
0.000 |
0 |
0 |
0 |
0.185 |
20 |
36 |
|
[ZN]B:406 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
19467 |
43.5 |
-25.7 |
0.000 |
0 |
0 |
0 |
0.093 |
21 |
37 |
|
[ATP]B:407 |
4 |
1 |
573 |
f |
[ZN]B:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.4 |
-16.1 |
0.000 |
0 |
0 |
0 |
0.135 |
38 |
|
[ATP]C:401 |
4 |
1 |
565 |
f |
[ZN]C:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.6 |
-16.0 |
0.000 |
0 |
0 |
0 |
0.135 |
39 |
|
[ATP]A:409 |
4 |
1 |
574 |
f |
[ZN]A:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.8 |
-14.2 |
0.000 |
0 |
0 |
0 |
0.135 |
Average: |
33.3 |
-15.5 |
0.000 |
0 |
0 |
0 |
0.135 |
22 |
40 |
|
[ZN]A:407 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
19467 |
33.6 |
-15.5 |
0.000 |
0 |
0 |
0 |
0.100 |
41 |
|
[ZN]B:404 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
18891 |
32.5 |
-14.7 |
0.000 |
0 |
0 |
0 |
0.100 |
42 |
|
[ZN]A:406 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
18682 |
31.7 |
-14.3 |
0.000 |
0 |
0 |
0 |
0.100 |
Average: |
32.6 |
-14.8 |
0.000 |
0 |
0 |
0 |
0.100 |
23 |
43 |
|
B |
5 |
3 |
19467 |
◊ |
[ZN]B:406 |
-x+1,y-1/2,-z-1/2 |
3_644 |
1 |
1 |
98 |
29.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.000 |
24 |
44 |
|
[ZN]A:405 |
1 |
1 |
98 |
f |
B |
x-1/2,-y-1/2,-z |
4_445 |
5 |
2 |
19467 |
29.2 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.091 |
45 |
|
[ZN]A:404 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
18682 |
27.7 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.091 |
Average: |
28.5 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.091 |
25 |
46 |
|
[NAG]B:401 |
2 |
1 |
357 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
5 |
3 |
19467 |
26.9 |
0.6 |
0.574 |
0 |
0 |
0 |
0.000 |
26 |
47 |
|
[ZN]A:405 |
1 |
1 |
98 |
◊ |
[NAG]A:401 |
x,y,z |
1_555 |
1 |
1 |
360 |
10.0 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.024 |
48 |
|
[ZN]A:404 |
1 |
1 |
98 |
◊ |
[NAG]B:402 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
364 |
9.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.024 |
Average: |
9.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.024 |
|