## |
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 |
52 |
15 |
15589 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
50 |
15 |
15732 |
478.7 |
-7.4 |
0.139 |
4 |
0 |
0 |
0.260 |
2 |
2 |
|
B |
55 |
17 |
15589 |
◊ |
A |
x,y,z |
1_555 |
59 |
14 |
15732 |
456.4 |
-1.5 |
0.657 |
3 |
0 |
0 |
0.000 |
3 |
3 |
|
[6Z1]B:1361 |
25 |
1 |
542 |
f |
B |
x,y,z |
1_555 |
56 |
20 |
15589 |
329.2 |
1.5 |
0.386 |
4 |
0 |
0 |
0.014 |
4 |
|
[6Z1]A:1361 |
25 |
1 |
544 |
f |
A |
x,y,z |
1_555 |
51 |
18 |
15732 |
328.0 |
2.0 |
0.447 |
5 |
0 |
0 |
0.014 |
Average: |
328.6 |
1.7 |
0.416 |
5 |
0 |
0 |
0.014 |
4 |
5 |
|
B |
25 |
8 |
15589 |
◊ |
A |
-x-1/2,y-1/2,-z |
3_445 |
27 |
10 |
15732 |
260.3 |
-0.5 |
0.577 |
2 |
0 |
0 |
0.000 |
5 |
6 |
|
A |
17 |
5 |
15732 |
◊ |
B |
x,y,z-1 |
1_554 |
18 |
4 |
15589 |
149.4 |
-1.2 |
0.486 |
1 |
0 |
0 |
0.000 |
6 |
7 |
|
[EDO]B:1358 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
25 |
11 |
15589 |
119.2 |
3.5 |
0.625 |
4 |
0 |
0 |
0.000 |
7 |
8 |
|
[EDO]A:1357 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
26 |
11 |
15732 |
112.9 |
3.2 |
0.644 |
3 |
0 |
0 |
0.000 |
8 |
9 |
|
[DMS]A:1362 |
4 |
1 |
211 |
f |
A |
x,y,z |
1_555 |
25 |
13 |
15732 |
112.7 |
2.5 |
0.593 |
1 |
0 |
0 |
0.000 |
9 |
10 |
|
[DMS]B:1362 |
4 |
1 |
211 |
f |
B |
x,y,z |
1_555 |
25 |
12 |
15589 |
112.3 |
2.5 |
0.579 |
1 |
0 |
0 |
0.000 |
10 |
11 |
|
B |
12 |
5 |
15589 |
◊ |
A |
x-1/2,-y-1/2,-z-1 |
4_444 |
18 |
6 |
15732 |
111.6 |
2.0 |
0.892 |
2 |
3 |
0 |
0.000 |
11 |
12 |
|
[EDO]A:1358 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
21 |
10 |
15732 |
103.9 |
3.8 |
0.731 |
0 |
0 |
0 |
0.000 |
12 |
13 |
|
[EDO]B:1357 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
15589 |
98.5 |
2.6 |
0.425 |
2 |
0 |
0 |
0.000 |
13 |
14 |
|
[EDO]A:1359 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
15732 |
96.1 |
2.9 |
0.452 |
1 |
0 |
0 |
0.000 |
14 |
15 |
|
[EDO]A:1360 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
15589 |
92.0 |
2.4 |
0.300 |
2 |
0 |
0 |
0.000 |
15 |
16 |
|
[EDO]B:1359 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
15589 |
86.4 |
1.7 |
0.221 |
1 |
0 |
0 |
0.000 |
16 |
17 |
|
[SO4]A:1354 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
15732 |
81.4 |
-12.9 |
0.684 |
4 |
0 |
0 |
0.415 |
17 |
18 |
|
[SO4]B:1354 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
15589 |
80.3 |
-12.7 |
0.680 |
3 |
0 |
0 |
0.398 |
18 |
19 |
|
[EDO]B:1360 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
15589 |
79.2 |
2.1 |
0.294 |
1 |
0 |
0 |
0.000 |
19 |
20 |
|
[EDO]A:1360 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
15732 |
55.0 |
1.6 |
0.291 |
0 |
0 |
0 |
0.000 |
20 |
21 |
|
A |
8 |
2 |
15732 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
6 |
1 |
15589 |
54.5 |
-1.4 |
0.243 |
0 |
0 |
0 |
0.000 |
21 |
22 |
|
[DMS]B:1362 |
3 |
1 |
211 |
f |
[6Z1]B:1361 |
x,y,z |
1_555 |
13 |
1 |
542 |
52.5 |
2.8 |
0.346 |
0 |
0 |
0 |
0.000 |
22 |
23 |
|
[DMS]A:1362 |
3 |
1 |
211 |
f |
[6Z1]A:1361 |
x,y,z |
1_555 |
13 |
1 |
544 |
50.4 |
2.7 |
0.336 |
0 |
0 |
0 |
0.000 |
23 |
24 |
|
A |
6 |
1 |
15732 |
◊ |
A |
-x-1,-y,z |
2_455 |
6 |
1 |
15732 |
46.3 |
-0.1 |
0.618 |
0 |
0 |
0 |
0.000 |
24 |
25 |
|
[MN]B:1355 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
15589 |
42.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.206 |
26 |
|
[MN]A:1355 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
15732 |
41.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.206 |
Average: |
42.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.206 |
25 |
27 |
|
[6Z1]B:1361 |
5 |
1 |
542 |
f |
[MN]B:1355 |
x,y,z |
1_555 |
1 |
1 |
123 |
40.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.119 |
28 |
|
[6Z1]A:1361 |
5 |
1 |
544 |
f |
[MN]A:1355 |
x,y,z |
1_555 |
1 |
1 |
123 |
40.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.119 |
Average: |
40.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.119 |
26 |
29 |
|
[EDO]B:1360 |
4 |
1 |
184 |
f |
A |
x-1/2,-y-1/2,-z-1 |
4_444 |
3 |
2 |
15732 |
38.9 |
1.1 |
0.881 |
1 |
0 |
0 |
0.000 |
27 |
30 |
|
B |
4 |
1 |
15589 |
◊ |
[SO4]A:1354 |
x-1/2,-y-1/2,-z |
4_445 |
4 |
1 |
186 |
38.2 |
-4.1 |
0.907 |
1 |
0 |
0 |
0.130 |
28 |
31 |
|
[SO4]B:1354 |
4 |
1 |
185 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
15732 |
33.5 |
-3.9 |
0.925 |
1 |
0 |
0 |
0.123 |
29 |
32 |
|
[EDO]A:1358 |
2 |
1 |
184 |
f |
[EDO]A:1357 |
x,y,z |
1_555 |
2 |
1 |
186 |
20.6 |
0.6 |
1.000 |
1 |
0 |
0 |
0.000 |
30 |
33 |
|
A |
4 |
2 |
15732 |
f |
[EDO]B:1359 |
x,y,z-1 |
1_554 |
2 |
1 |
183 |
15.3 |
0.5 |
0.800 |
0 |
0 |
0 |
0.000 |
31 |
34 |
|
[DMS]A:1362 |
1 |
1 |
211 |
f |
[MN]A:1355 |
x,y,z |
1_555 |
1 |
1 |
123 |
13.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.004 |
35 |
|
[DMS]B:1362 |
2 |
1 |
211 |
f |
[MN]B:1355 |
x,y,z |
1_555 |
1 |
1 |
123 |
11.2 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.004 |
Average: |
12.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.004 |
32 |
36 |
|
A |
2 |
1 |
15732 |
x |
A |
x-1/2,-y-1/2,-z-1 |
4_444 |
1 |
1 |
15732 |
7.4 |
-0.2 |
0.320 |
0 |
0 |
0 |
0.000 |
33 |
37 |
|
B |
1 |
1 |
15589 |
◊ |
[EDO]A:1359 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
185 |
1.4 |
0.0 |
0.849 |
0 |
0 |
0 |
0.000 |
34 |
38 |
|
[EDO]A:1359 |
1 |
1 |
185 |
f |
[SO4]A:1354 |
x,y,z |
1_555 |
1 |
1 |
186 |
1.0 |
-0.1 |
1.000 |
0 |
0 |
0 |
0.003 |
|