## |
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 |
147 |
37 |
8161 |
◊ |
A |
x,y,z |
1_555 |
148 |
36 |
8207 |
1492.5 |
-31.2 |
0.014 |
12 |
0 |
1 |
0.542 |
2 |
2 |
|
C |
49 |
11 |
1496 |
◊ |
A |
x,y,z |
1_555 |
53 |
12 |
8207 |
412.3 |
-4.4 |
0.852 |
8 |
0 |
0 |
0.482 |
3 |
|
D |
49 |
11 |
1462 |
◊ |
B |
x,y,z |
1_555 |
50 |
11 |
8161 |
406.6 |
-4.3 |
0.885 |
8 |
0 |
0 |
0.482 |
Average: |
409.4 |
-4.3 |
0.869 |
8 |
0 |
0 |
0.482 |
3 |
4 |
|
B |
42 |
13 |
8161 |
◊ |
D |
x-1/2,-y+1/2,-z |
3_455 |
33 |
10 |
1462 |
313.5 |
-4.8 |
0.710 |
2 |
0 |
0 |
0.258 |
5 |
|
C |
36 |
10 |
1496 |
◊ |
A |
x-1/2,-y-1/2,-z |
3_445 |
40 |
11 |
8207 |
312.3 |
-3.7 |
0.769 |
1 |
0 |
0 |
0.258 |
Average: |
312.9 |
-4.2 |
0.740 |
2 |
0 |
0 |
0.258 |
4 |
6 |
|
B |
33 |
9 |
8161 |
x |
B |
x-1/2,-y+1/2,-z |
3_455 |
28 |
11 |
8161 |
281.9 |
-1.0 |
0.707 |
5 |
0 |
0 |
0.000 |
5 |
7 |
|
D |
26 |
7 |
1462 |
◊ |
A |
x,y,z |
1_555 |
29 |
8 |
8207 |
272.8 |
-0.5 |
0.880 |
6 |
0 |
0 |
0.067 |
8 |
|
C |
27 |
7 |
1496 |
◊ |
B |
x,y,z |
1_555 |
27 |
7 |
8161 |
266.1 |
-0.5 |
0.869 |
6 |
0 |
0 |
0.067 |
Average: |
269.5 |
-0.5 |
0.875 |
6 |
0 |
0 |
0.067 |
6 |
9 |
|
A |
28 |
8 |
8207 |
x |
A |
x-1/2,-y-1/2,-z |
3_445 |
31 |
8 |
8207 |
245.5 |
-0.0 |
0.763 |
4 |
0 |
0 |
0.000 |
7 |
10 |
|
B |
16 |
6 |
8161 |
◊ |
A |
-x,y-1/2,-z+1/2 |
4_545 |
18 |
8 |
8207 |
148.6 |
-0.1 |
0.706 |
0 |
0 |
0 |
0.000 |
8 |
11 |
|
A |
18 |
5 |
8207 |
x |
A |
-x,y-1/2,-z+1/2 |
4_545 |
16 |
6 |
8207 |
139.5 |
-2.4 |
0.369 |
0 |
0 |
0 |
0.000 |
9 |
12 |
|
A |
13 |
7 |
8207 |
◊ |
B |
x,y-1,z |
1_545 |
18 |
9 |
8161 |
133.8 |
-1.1 |
0.572 |
0 |
0 |
0 |
0.000 |
10 |
13 |
|
B |
12 |
3 |
8161 |
x |
B |
-x,y-1/2,-z+1/2 |
4_545 |
10 |
3 |
8161 |
107.8 |
-0.5 |
0.623 |
0 |
0 |
0 |
0.000 |
11 |
14 |
|
[SO4]A:202 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
8207 |
93.5 |
-14.3 |
0.890 |
5 |
0 |
0 |
0.487 |
12 |
15 |
|
[SO4]B:201 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
8161 |
62.6 |
-8.2 |
0.794 |
2 |
0 |
0 |
0.556 |
13 |
16 |
|
[SO4]A:201 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
8207 |
60.4 |
-7.8 |
0.784 |
2 |
0 |
0 |
0.257 |
14 |
17 |
|
[SO4]B:201 |
4 |
1 |
185 |
◊ |
D |
x-1/2,-y+1/2,-z |
3_455 |
10 |
3 |
1462 |
55.1 |
-7.0 |
0.933 |
2 |
0 |
0 |
0.360 |
15 |
18 |
|
C |
10 |
3 |
1496 |
◊ |
[SO4]A:201 |
x-1/2,-y-1/2,-z |
3_445 |
4 |
1 |
185 |
53.6 |
-6.7 |
0.918 |
2 |
0 |
0 |
0.209 |
16 |
19 |
|
[SO4]B:201 |
4 |
1 |
185 |
◊ |
B |
x-1/2,-y+1/2,-z |
3_455 |
9 |
4 |
8161 |
50.9 |
-6.4 |
0.703 |
0 |
0 |
0 |
0.000 |
17 |
20 |
|
[NH2]C:1631 |
1 |
1 |
117 |
cf |
C |
x,y,z |
1_555 |
7 |
2 |
1496 |
50.2 |
0.8 |
0.899 |
0 |
0 |
0 |
0.000 |
21 |
|
[NH2]D:1631 |
1 |
1 |
117 |
cf |
D |
x,y,z |
1_555 |
8 |
2 |
1462 |
49.4 |
0.7 |
0.923 |
0 |
0 |
0 |
0.000 |
Average: |
49.8 |
0.7 |
0.911 |
0 |
0 |
0 |
0.000 |
18 |
22 |
|
A |
8 |
4 |
8207 |
◊ |
[SO4]A:201 |
x-1/2,-y-1/2,-z |
3_445 |
4 |
1 |
185 |
48.0 |
-5.9 |
0.682 |
0 |
0 |
0 |
0.000 |
19 |
23 |
|
A |
6 |
1 |
8207 |
◊ |
C |
x-1/2,-y-1/2,-z |
3_445 |
4 |
2 |
1496 |
45.0 |
-0.6 |
0.564 |
1 |
0 |
0 |
0.000 |
24 |
|
D |
2 |
1 |
1462 |
◊ |
B |
x-1/2,-y+1/2,-z |
3_455 |
4 |
1 |
8161 |
22.8 |
-0.5 |
0.496 |
0 |
0 |
0 |
0.000 |
Average: |
33.9 |
-0.6 |
0.530 |
1 |
0 |
0 |
0.000 |
20 |
25 |
|
[NH2]D:1631 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
8207 |
32.6 |
0.3 |
0.789 |
0 |
0 |
0 |
0.000 |
26 |
|
[NH2]C:1631 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
6 |
1 |
8161 |
31.9 |
0.3 |
0.809 |
0 |
0 |
0 |
0.000 |
Average: |
32.2 |
0.3 |
0.799 |
0 |
0 |
0 |
0.000 |
21 |
27 |
|
[SO4]A:202 |
4 |
1 |
187 |
◊ |
B |
x,y-1,z |
1_545 |
4 |
2 |
8161 |
31.4 |
-3.7 |
0.624 |
0 |
0 |
0 |
0.000 |
22 |
28 |
|
C |
3 |
1 |
1496 |
◊ |
B |
x-1/2,-y+1/2,-z |
3_455 |
1 |
1 |
8161 |
16.5 |
-0.4 |
0.591 |
1 |
0 |
0 |
0.000 |
23 |
29 |
|
B |
2 |
2 |
8161 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
1 |
1462 |
15.3 |
0.1 |
0.725 |
0 |
0 |
0 |
0.000 |
30 |
|
C |
2 |
1 |
1496 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
8207 |
6.4 |
0.1 |
0.777 |
0 |
0 |
0 |
0.000 |
Average: |
10.8 |
0.1 |
0.751 |
0 |
0 |
0 |
0.000 |
24 |
31 |
|
[SO4]A:201 |
1 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
1496 |
12.1 |
-1.5 |
0.539 |
0 |
0 |
0 |
0.045 |
25 |
32 |
|
A |
2 |
1 |
8207 |
◊ |
B |
-x,y-1/2,-z+1/2 |
4_545 |
1 |
1 |
8161 |
3.4 |
-0.1 |
0.511 |
0 |
0 |
0 |
0.000 |
26 |
33 |
|
[SO4]A:202 |
1 |
1 |
187 |
◊ |
D |
x-1/2,-y-1/2,-z |
3_445 |
1 |
1 |
1462 |
1.1 |
-0.1 |
0.776 |
0 |
0 |
0 |
0.000 |
27 |
34 |
|
[SO4]B:201 |
1 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
1462 |
0.7 |
-0.1 |
0.776 |
0 |
0 |
0 |
0.005 |
|