## |
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 |
44 |
14 |
14145 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
53 |
19 |
14145 |
456.7 |
1.1 |
0.793 |
1 |
5 |
0 |
0.000 |
2 |
|
A |
51 |
18 |
14039 |
x |
A |
-x+2,y-1/2,-z |
2_745 |
46 |
14 |
14039 |
454.7 |
0.7 |
0.790 |
3 |
4 |
0 |
0.000 |
Average: |
455.7 |
0.9 |
0.791 |
2 |
5 |
0 |
0.000 |
2 |
3 |
|
B |
52 |
18 |
14145 |
◊ |
A |
x-1,y,z |
1_455 |
42 |
14 |
14039 |
414.7 |
-1.6 |
0.514 |
1 |
2 |
0 |
0.000 |
4 |
|
B |
40 |
13 |
14145 |
◊ |
A |
x,y,z |
1_555 |
54 |
18 |
14039 |
410.0 |
-1.7 |
0.523 |
2 |
2 |
0 |
0.000 |
Average: |
412.3 |
-1.6 |
0.518 |
2 |
2 |
0 |
0.000 |
3 |
5 |
|
B |
43 |
15 |
14145 |
◊ |
A |
x,y-1,z |
1_545 |
45 |
16 |
14039 |
390.9 |
-4.1 |
0.326 |
3 |
2 |
0 |
0.000 |
6 |
|
B |
46 |
17 |
14145 |
◊ |
A |
x-1,y-1,z |
1_445 |
43 |
15 |
14039 |
389.2 |
-4.2 |
0.319 |
1 |
2 |
0 |
0.000 |
Average: |
390.0 |
-4.1 |
0.322 |
2 |
2 |
0 |
0.000 |
4 |
7 |
|
B |
20 |
8 |
14145 |
◊ |
A |
-x+2,y-1/2,-z |
2_745 |
15 |
10 |
14039 |
167.9 |
-0.9 |
0.398 |
0 |
0 |
0 |
0.000 |
8 |
|
B |
14 |
9 |
14145 |
◊ |
A |
-x+2,y-1/2,-z+1 |
2_746 |
20 |
7 |
14039 |
163.0 |
-1.0 |
0.355 |
0 |
0 |
0 |
0.000 |
Average: |
165.4 |
-1.0 |
0.376 |
0 |
0 |
0 |
0.000 |
5 |
9 |
|
[SO4]A:405 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
14039 |
105.7 |
-17.3 |
0.606 |
2 |
0 |
0 |
0.016 |
6 |
10 |
|
[SO4]B:409 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
14145 |
104.7 |
-17.1 |
0.601 |
2 |
0 |
0 |
0.015 |
7 |
11 |
|
[ACT]B:407 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
14145 |
81.3 |
-0.8 |
0.552 |
0 |
0 |
0 |
0.000 |
12 |
|
[ACT]B:408 |
4 |
1 |
183 |
f |
A |
x,y-1,z |
1_545 |
16 |
5 |
14039 |
81.3 |
-0.8 |
0.558 |
0 |
0 |
0 |
0.000 |
Average: |
81.3 |
-0.8 |
0.555 |
0 |
0 |
0 |
0.001 |
8 |
13 |
|
[SO4]B:405 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
14145 |
73.1 |
-9.4 |
0.880 |
1 |
0 |
0 |
0.008 |
9 |
14 |
|
[SO4]B:406 |
5 |
1 |
184 |
f |
A |
x-1,y,z |
1_455 |
10 |
4 |
14039 |
67.1 |
-8.9 |
0.823 |
0 |
0 |
0 |
0.008 |
10 |
15 |
|
[SO4]B:405 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
14039 |
51.2 |
-6.6 |
0.812 |
0 |
0 |
0 |
0.000 |
11 |
16 |
|
[SO4]B:406 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
14145 |
50.3 |
-6.5 |
0.812 |
0 |
0 |
0 |
0.000 |
12 |
17 |
|
[ACT]B:408 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
14145 |
45.9 |
-0.1 |
0.711 |
1 |
0 |
0 |
0.000 |
18 |
|
[ACT]B:407 |
4 |
1 |
183 |
◊ |
A |
x-1,y-1,z |
1_445 |
8 |
4 |
14039 |
45.6 |
-0.1 |
0.715 |
1 |
0 |
0 |
0.000 |
Average: |
45.8 |
-0.1 |
0.713 |
1 |
0 |
0 |
0.000 |
13 |
19 |
|
[ZN]A:402 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
14039 |
40.6 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.000 |
20 |
|
[ZN]B:402 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
14145 |
40.5 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
40.5 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.000 |
14 |
21 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
14039 |
40.1 |
-19.5 |
0.000 |
0 |
0 |
0 |
0.017 |
22 |
|
[ZN]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
14145 |
39.4 |
-19.4 |
0.000 |
0 |
0 |
0 |
0.017 |
Average: |
39.8 |
-19.4 |
0.000 |
0 |
0 |
0 |
0.017 |
15 |
23 |
|
[ZN]B:402 |
1 |
1 |
98 |
cf |
A |
x-1,y,z |
1_455 |
6 |
3 |
14039 |
39.1 |
-18.1 |
0.000 |
0 |
0 |
0 |
0.015 |
24 |
|
[ZN]A:402 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
14145 |
38.9 |
-18.1 |
0.000 |
0 |
0 |
0 |
0.015 |
Average: |
39.0 |
-18.1 |
0.000 |
0 |
0 |
0 |
0.015 |
16 |
25 |
|
[ZN]A:401 |
1 |
1 |
98 |
◊ |
A |
-x+2,y-1/2,-z |
2_745 |
5 |
3 |
14039 |
38.1 |
-18.1 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
|
B |
5 |
3 |
14145 |
◊ |
[ZN]B:401 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
98 |
38.1 |
-18.2 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
38.1 |
-18.1 |
0.000 |
0 |
0 |
0 |
0.000 |
17 |
27 |
|
[ZN]B:404 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
14145 |
37.7 |
-26.6 |
0.000 |
0 |
0 |
0 |
0.023 |
28 |
|
[ZN]A:404 |
1 |
1 |
98 |
f |
A |
-x+2,y-1/2,-z |
2_745 |
4 |
3 |
14039 |
37.3 |
-26.5 |
0.000 |
0 |
0 |
0 |
0.023 |
Average: |
37.5 |
-26.5 |
0.000 |
0 |
0 |
0 |
0.023 |
18 |
29 |
|
[ZN]B:403 |
1 |
1 |
98 |
f |
A |
x,y-1,z |
1_545 |
9 |
4 |
14039 |
30.7 |
-14.8 |
0.000 |
0 |
0 |
0 |
0.013 |
30 |
|
B |
9 |
4 |
14145 |
f |
[ZN]A:403 |
x-1,y-1,z |
1_445 |
1 |
1 |
98 |
30.5 |
-14.7 |
0.000 |
0 |
0 |
0 |
0.013 |
Average: |
30.6 |
-14.7 |
0.000 |
0 |
0 |
0 |
0.013 |
19 |
31 |
|
[ZN]B:403 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
14145 |
28.2 |
-14.2 |
0.000 |
0 |
0 |
0 |
0.000 |
32 |
|
[ZN]A:403 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
14039 |
28.0 |
-14.2 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
28.1 |
-14.2 |
0.000 |
0 |
0 |
0 |
0.000 |
20 |
33 |
|
[ZN]A:404 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
14039 |
27.7 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.000 |
34 |
|
[ZN]B:404 |
1 |
1 |
98 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
2 |
14145 |
27.6 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
27.6 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.000 |
21 |
35 |
|
[ACT]B:407 |
3 |
1 |
183 |
f |
[ZN]A:403 |
x-1,y-1,z |
1_445 |
1 |
1 |
98 |
25.6 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.009 |
36 |
|
[ACT]B:408 |
3 |
1 |
183 |
f |
[ZN]B:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.3 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.009 |
Average: |
25.5 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.009 |
22 |
37 |
|
B |
4 |
2 |
14145 |
x |
B |
x,y-1,z |
1_545 |
4 |
2 |
14145 |
20.2 |
-0.5 |
0.378 |
0 |
0 |
0 |
0.000 |
38 |
|
A |
4 |
2 |
14039 |
x |
A |
x,y-1,z |
1_545 |
4 |
2 |
14039 |
17.1 |
-0.4 |
0.404 |
0 |
0 |
0 |
0.000 |
Average: |
18.7 |
-0.5 |
0.391 |
0 |
0 |
0 |
0.000 |
|