## |
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 |
357 |
91 |
27758 |
◊ |
A |
x,y,z |
1_555 |
361 |
95 |
27573 |
3277.5 |
-12.9 |
0.380 |
46 |
8 |
0 |
0.442 |
2 |
2 |
|
B |
57 |
23 |
27758 |
◊ |
A |
x-1,y,z |
1_455 |
56 |
24 |
27573 |
503.2 |
-2.5 |
0.407 |
2 |
4 |
0 |
0.000 |
3 |
3 |
|
A |
29 |
8 |
27573 |
◊ |
B |
-x,y-1/2,-z+2 |
2_547 |
33 |
9 |
27758 |
269.5 |
-2.8 |
0.250 |
1 |
0 |
0 |
0.000 |
4 |
4 |
|
B |
36 |
13 |
27758 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
28 |
12 |
27573 |
245.7 |
-2.4 |
0.268 |
1 |
0 |
0 |
0.000 |
5 |
5 |
|
[BGC]B:2901 |
12 |
1 |
309 |
f |
B |
x,y,z |
1_555 |
27 |
11 |
27758 |
169.2 |
3.9 |
0.571 |
4 |
0 |
0 |
0.000 |
6 |
|
[BGC]A:1901 |
12 |
1 |
304 |
f |
A |
x,y,z |
1_555 |
28 |
11 |
27573 |
168.5 |
3.9 |
0.621 |
4 |
0 |
0 |
0.000 |
Average: |
168.9 |
3.9 |
0.596 |
4 |
0 |
0 |
0.000 |
6 |
7 |
|
[EPE]A:3001 |
13 |
1 |
406 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
27573 |
166.0 |
3.7 |
0.076 |
2 |
0 |
0 |
0.000 |
7 |
8 |
|
B |
16 |
8 |
27758 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
22 |
8 |
27758 |
165.3 |
-1.8 |
0.256 |
0 |
1 |
0 |
0.000 |
8 |
9 |
|
[IFM]B:2903 |
10 |
1 |
286 |
f |
B |
x,y,z |
1_555 |
30 |
13 |
27758 |
161.0 |
4.8 |
0.583 |
3 |
0 |
0 |
0.000 |
10 |
|
[IFM]A:1903 |
10 |
1 |
287 |
f |
A |
x,y,z |
1_555 |
31 |
13 |
27573 |
161.0 |
6.6 |
0.658 |
3 |
0 |
0 |
0.000 |
Average: |
161.0 |
5.7 |
0.620 |
3 |
0 |
0 |
0.000 |
9 |
11 |
|
A |
24 |
8 |
27573 |
x |
A |
-x+1,y-1/2,-z+2 |
2_647 |
18 |
6 |
27573 |
147.0 |
-1.1 |
0.429 |
1 |
0 |
0 |
0.000 |
10 |
12 |
|
A |
16 |
6 |
27573 |
◊ |
B |
-x+1,y-1/2,-z+2 |
2_647 |
15 |
4 |
27758 |
118.5 |
-0.4 |
0.488 |
1 |
0 |
0 |
0.000 |
11 |
13 |
|
[SO4]B:2902 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
27758 |
97.0 |
-13.6 |
0.850 |
5 |
0 |
0 |
0.203 |
12 |
14 |
|
[SO4]A:1902 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
20 |
11 |
27573 |
94.6 |
-14.7 |
0.821 |
5 |
0 |
0 |
0.217 |
13 |
15 |
|
A |
10 |
4 |
27573 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
4 |
27573 |
85.2 |
-0.1 |
0.565 |
0 |
0 |
0 |
0.000 |
14 |
16 |
|
[BGC]B:2901 |
8 |
1 |
309 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
27573 |
64.9 |
1.3 |
0.298 |
1 |
0 |
0 |
0.000 |
17 |
|
[BGC]A:1901 |
9 |
1 |
304 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
27758 |
63.0 |
1.2 |
0.294 |
1 |
0 |
0 |
0.000 |
Average: |
63.9 |
1.2 |
0.296 |
1 |
0 |
0 |
0.000 |
15 |
18 |
|
B |
11 |
4 |
27758 |
x |
B |
-x,y-1/2,-z+2 |
2_547 |
6 |
2 |
27758 |
58.8 |
0.6 |
0.696 |
0 |
0 |
0 |
0.000 |
16 |
19 |
|
[SO4]A:3003 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
27573 |
58.5 |
-6.7 |
0.959 |
2 |
0 |
0 |
0.097 |
17 |
20 |
|
[SO4]B:3002 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
27758 |
57.4 |
-6.3 |
0.967 |
2 |
0 |
0 |
0.092 |
18 |
21 |
|
[SO4]A:3004 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
27573 |
57.2 |
-6.6 |
0.891 |
1 |
0 |
0 |
0.090 |
19 |
22 |
|
[IFM]A:1903 |
4 |
1 |
287 |
f |
[BGC]A:1901 |
x,y,z |
1_555 |
5 |
1 |
304 |
39.0 |
0.8 |
0.095 |
0 |
0 |
0 |
0.000 |
23 |
|
[IFM]B:2903 |
4 |
1 |
286 |
f |
[BGC]B:2901 |
x,y,z |
1_555 |
4 |
1 |
309 |
38.3 |
0.7 |
0.113 |
0 |
0 |
0 |
0.000 |
Average: |
38.6 |
0.8 |
0.104 |
0 |
0 |
0 |
0.000 |
20 |
24 |
|
[IFM]B:2903 |
6 |
1 |
286 |
f |
[SO4]B:2902 |
x,y,z |
1_555 |
4 |
1 |
186 |
36.8 |
-4.0 |
0.296 |
0 |
0 |
0 |
0.052 |
21 |
25 |
|
[IFM]A:1903 |
5 |
1 |
287 |
f |
[SO4]A:1902 |
x,y,z |
1_555 |
4 |
1 |
185 |
34.6 |
-3.7 |
0.361 |
0 |
0 |
0 |
0.047 |
22 |
26 |
|
[SO4]A:1902 |
1 |
1 |
185 |
f |
[BGC]A:1901 |
x,y,z |
1_555 |
2 |
1 |
304 |
1.4 |
-0.2 |
0.527 |
0 |
0 |
0 |
0.002 |
23 |
27 |
|
[SO4]B:2902 |
1 |
1 |
186 |
f |
[BGC]B:2901 |
x,y,z |
1_555 |
1 |
1 |
309 |
0.9 |
-0.1 |
0.408 |
0 |
0 |
0 |
0.002 |
|