## |
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 |
411 |
102 |
17873 |
◊ |
A |
x,y,z |
1_555 |
408 |
103 |
17919 |
4230.5 |
-74.2 |
0.002 |
36 |
18 |
0 |
0.795 |
2 |
2 |
|
A |
44 |
12 |
17919 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
44 |
13 |
17873 |
355.7 |
-2.7 |
0.636 |
9 |
0 |
0 |
0.000 |
3 |
3 |
|
A |
37 |
14 |
17919 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
39 |
13 |
17873 |
333.0 |
-3.0 |
0.543 |
1 |
2 |
0 |
0.000 |
4 |
4 |
|
B |
37 |
15 |
17873 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
34 |
13 |
17919 |
262.6 |
-3.1 |
0.471 |
0 |
0 |
0 |
0.079 |
5 |
5 |
|
A |
28 |
10 |
17919 |
◊ |
B |
x-1,y,z |
1_455 |
34 |
10 |
17873 |
252.9 |
-1.1 |
0.647 |
1 |
0 |
0 |
0.000 |
6 |
6 |
|
A |
23 |
10 |
17919 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
21 |
7 |
17919 |
196.7 |
-3.4 |
0.294 |
3 |
0 |
0 |
0.000 |
7 |
|
B |
21 |
6 |
17873 |
x |
B |
-x,y-1/2,-z+1/2 |
3_545 |
21 |
9 |
17873 |
183.1 |
-3.3 |
0.283 |
3 |
0 |
0 |
0.000 |
Average: |
189.9 |
-3.3 |
0.288 |
3 |
0 |
0 |
0.000 |
7 |
8 |
|
[H6N]A:402 |
10 |
1 |
279 |
f |
A |
x,y,z |
1_555 |
30 |
16 |
17919 |
190.9 |
1.1 |
0.423 |
5 |
0 |
0 |
0.059 |
9 |
|
[H6N]B:402 |
10 |
1 |
281 |
f |
B |
x,y,z |
1_555 |
30 |
16 |
17873 |
190.0 |
1.0 |
0.398 |
5 |
0 |
0 |
0.059 |
Average: |
190.5 |
1.0 |
0.411 |
5 |
0 |
0 |
0.059 |
8 |
10 |
|
A |
16 |
5 |
17919 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
29 |
8 |
17919 |
172.0 |
-1.9 |
0.429 |
0 |
0 |
0 |
0.000 |
9 |
11 |
|
B |
19 |
8 |
17873 |
x |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
20 |
7 |
17873 |
168.1 |
0.7 |
0.737 |
1 |
0 |
0 |
0.000 |
10 |
12 |
|
[EDO]A:403 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
17919 |
104.2 |
2.9 |
0.514 |
3 |
0 |
0 |
0.000 |
11 |
13 |
|
[EDO]B:403 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
17873 |
99.5 |
2.3 |
0.490 |
4 |
0 |
0 |
0.000 |
12 |
14 |
|
[EDO]A:404 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
12 |
7 |
17919 |
81.5 |
1.9 |
0.243 |
1 |
0 |
0 |
0.000 |
15 |
|
[EDO]B:404 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
12 |
7 |
17873 |
81.1 |
1.8 |
0.238 |
1 |
0 |
0 |
0.000 |
Average: |
81.3 |
1.8 |
0.241 |
1 |
0 |
0 |
0.000 |
13 |
16 |
|
B |
8 |
3 |
17873 |
cf |
[SO4]A:406 |
-x,y-1/2,-z+1/2 |
3_545 |
5 |
1 |
188 |
77.1 |
-12.4 |
0.615 |
2 |
0 |
0 |
0.334 |
14 |
17 |
|
[SO4]A:405 |
5 |
1 |
187 |
f |
A |
x-1/2,-y-1/2,-z |
4_445 |
9 |
3 |
17919 |
69.0 |
-9.2 |
0.882 |
2 |
0 |
0 |
0.252 |
15 |
18 |
|
[SO4]A:406 |
5 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
17919 |
63.0 |
-9.6 |
0.635 |
3 |
0 |
0 |
0.274 |
16 |
19 |
|
[SO4]A:405 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
17919 |
49.1 |
-6.4 |
0.788 |
1 |
0 |
0 |
0.000 |
17 |
20 |
|
[EDO]B:404 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
17919 |
44.3 |
0.8 |
0.552 |
0 |
0 |
0 |
0.000 |
21 |
|
[EDO]A:404 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
17873 |
44.0 |
0.7 |
0.187 |
0 |
0 |
0 |
0.000 |
Average: |
44.2 |
0.7 |
0.370 |
0 |
0 |
0 |
0.000 |
18 |
22 |
|
[EDO]B:404 |
4 |
1 |
183 |
f |
[EDO]A:404 |
x,y,z |
1_555 |
3 |
1 |
183 |
38.8 |
1.3 |
1.000 |
3 |
0 |
0 |
0.100 |
19 |
23 |
|
[EDO]B:403 |
3 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
5 |
1 |
17919 |
26.5 |
-0.0 |
0.654 |
0 |
0 |
0 |
0.000 |
20 |
24 |
|
[EDO]A:403 |
1 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
4 |
1 |
17873 |
22.1 |
-0.1 |
0.644 |
0 |
0 |
0 |
0.001 |
21 |
25 |
|
A |
1 |
1 |
17919 |
◊ |
[EDO]B:403 |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
183 |
11.7 |
0.6 |
0.944 |
0 |
0 |
0 |
0.000 |
22 |
26 |
|
[H6N]B:402 |
2 |
1 |
281 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
17919 |
11.0 |
-0.1 |
0.330 |
0 |
0 |
0 |
0.002 |
27 |
|
[H6N]A:402 |
2 |
1 |
279 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
17873 |
9.7 |
-0.1 |
0.327 |
0 |
0 |
0 |
0.002 |
Average: |
10.3 |
-0.1 |
0.329 |
0 |
0 |
0 |
0.002 |
|