## |
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 |
|
A |
100 |
30 |
6283 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
104 |
33 |
6287 |
983.8 |
-10.9 |
0.127 |
9 |
4 |
0 |
0.174 |
2 |
2 |
|
C |
42 |
6 |
1005 |
◊ |
A |
x,y,z |
1_555 |
60 |
18 |
6283 |
475.4 |
-6.4 |
0.451 |
18 |
1 |
0 |
0.307 |
3 |
|
D |
37 |
6 |
1066 |
◊ |
B |
x,y,z |
1_555 |
54 |
17 |
6287 |
450.3 |
-7.2 |
0.318 |
11 |
0 |
0 |
0.307 |
Average: |
462.8 |
-6.8 |
0.385 |
15 |
1 |
0 |
0.307 |
3 |
4 |
|
A |
39 |
11 |
6283 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
38 |
12 |
6287 |
373.0 |
-0.8 |
0.573 |
6 |
5 |
0 |
0.000 |
4 |
5 |
|
A |
29 |
9 |
6283 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
34 |
8 |
6283 |
288.0 |
-2.7 |
0.347 |
3 |
1 |
0 |
0.000 |
5 |
6 |
|
B |
25 |
6 |
6287 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
23 |
7 |
6287 |
206.1 |
0.7 |
0.689 |
5 |
0 |
0 |
0.000 |
6 |
7 |
|
A |
24 |
9 |
6283 |
◊ |
D |
x,y,z-1 |
1_554 |
23 |
4 |
1066 |
194.7 |
0.6 |
0.785 |
3 |
0 |
0 |
0.000 |
7 |
8 |
|
B |
17 |
6 |
6287 |
◊ |
A |
x,y,z |
1_555 |
19 |
6 |
6283 |
156.4 |
-1.4 |
0.383 |
1 |
0 |
0 |
0.000 |
8 |
9 |
|
C |
16 |
5 |
1005 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
11 |
3 |
6287 |
117.3 |
0.0 |
0.700 |
1 |
1 |
0 |
0.000 |
9 |
10 |
|
A |
13 |
3 |
6283 |
x |
A |
x-1,y,z |
1_455 |
8 |
2 |
6283 |
113.6 |
-0.6 |
0.323 |
1 |
0 |
0 |
0.000 |
10 |
11 |
|
[SO4]A:502 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
6283 |
103.0 |
-17.2 |
0.683 |
6 |
0 |
0 |
0.419 |
12 |
|
[SO4]B:500 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
6287 |
94.6 |
-14.7 |
0.738 |
6 |
0 |
0 |
0.419 |
Average: |
98.8 |
-15.9 |
0.710 |
6 |
0 |
0 |
0.419 |
11 |
13 |
|
B |
14 |
7 |
6287 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
15 |
7 |
6287 |
88.7 |
0.1 |
0.543 |
0 |
0 |
0 |
0.000 |
12 |
14 |
|
C |
9 |
2 |
1005 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
6287 |
86.6 |
0.7 |
0.704 |
1 |
1 |
0 |
0.000 |
13 |
15 |
|
A |
9 |
4 |
6283 |
◊ |
B |
x,y-1,z-1 |
1_544 |
11 |
5 |
6287 |
79.8 |
1.4 |
0.724 |
2 |
2 |
0 |
0.000 |
14 |
16 |
|
A |
16 |
6 |
6283 |
◊ |
[ACE]D:555 |
x,y,z-1 |
1_554 |
3 |
1 |
172 |
77.6 |
-1.4 |
0.672 |
0 |
0 |
0 |
0.000 |
15 |
17 |
|
[SO4]B:501 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
6287 |
76.8 |
-11.1 |
0.577 |
2 |
0 |
0 |
0.258 |
16 |
18 |
|
A |
13 |
5 |
6283 |
◊ |
B |
x,y,z-1 |
1_554 |
7 |
3 |
6287 |
72.9 |
0.2 |
0.642 |
0 |
0 |
0 |
0.000 |
17 |
19 |
|
A |
10 |
5 |
6283 |
f |
[SO4]B:503 |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
1 |
184 |
71.0 |
-10.5 |
0.642 |
3 |
0 |
0 |
0.251 |
18 |
20 |
|
[SO4]B:503 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
6287 |
60.4 |
-8.5 |
0.528 |
2 |
0 |
0 |
0.105 |
19 |
21 |
|
[ACE]D:555 |
3 |
1 |
172 |
cf |
D |
x,y,z |
1_555 |
5 |
2 |
1066 |
56.4 |
-0.3 |
0.789 |
1 |
0 |
0 |
0.100 |
20 |
22 |
|
[ACE]C:555 |
3 |
1 |
171 |
cf |
C |
x,y,z |
1_555 |
6 |
2 |
1005 |
54.2 |
-0.3 |
0.826 |
0 |
0 |
0 |
0.100 |
21 |
23 |
|
D |
6 |
3 |
1066 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
8 |
6 |
6287 |
43.0 |
0.8 |
0.772 |
0 |
0 |
0 |
0.000 |
22 |
24 |
|
[SO4]B:501 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
1066 |
41.3 |
-3.5 |
0.972 |
2 |
0 |
0 |
0.094 |
23 |
25 |
|
[SO4]B:500 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
1005 |
41.1 |
-4.4 |
0.940 |
2 |
0 |
0 |
0.015 |
24 |
26 |
|
A |
3 |
1 |
6283 |
x |
A |
-x,y-1/2,-z |
2_545 |
4 |
2 |
6283 |
37.9 |
0.4 |
0.663 |
1 |
0 |
0 |
0.000 |
25 |
27 |
|
[ACE]C:555 |
3 |
1 |
171 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
6283 |
31.4 |
-0.8 |
0.501 |
0 |
0 |
0 |
0.017 |
26 |
28 |
|
A |
1 |
1 |
6283 |
◊ |
[SO4]B:501 |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
185 |
27.9 |
-2.6 |
0.950 |
1 |
0 |
0 |
0.000 |
27 |
29 |
|
A |
4 |
2 |
6283 |
◊ |
[SO4]B:501 |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
185 |
23.3 |
-3.1 |
0.573 |
0 |
0 |
0 |
0.035 |
28 |
30 |
|
A |
5 |
2 |
6283 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
6287 |
21.6 |
-0.2 |
0.376 |
0 |
0 |
0 |
0.000 |
29 |
31 |
|
[ACE]C:555 |
2 |
1 |
171 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
6287 |
16.7 |
-0.1 |
0.835 |
0 |
0 |
0 |
0.000 |
30 |
32 |
|
A |
1 |
1 |
6283 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
1066 |
10.7 |
0.1 |
0.404 |
0 |
0 |
0 |
0.000 |
31 |
33 |
|
A |
1 |
1 |
6283 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
2 |
2 |
6287 |
9.7 |
-0.0 |
0.555 |
0 |
0 |
0 |
0.000 |
32 |
34 |
|
[SO4]B:500 |
2 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
6283 |
6.9 |
-0.9 |
0.637 |
0 |
0 |
0 |
0.000 |
33 |
35 |
|
[ACE]D:555 |
1 |
1 |
172 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
6287 |
3.8 |
0.1 |
0.740 |
0 |
0 |
0 |
0.000 |
34 |
36 |
|
[SO4]A:502 |
1 |
1 |
184 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
3 |
1 |
6283 |
2.8 |
-0.3 |
0.779 |
0 |
0 |
0 |
0.000 |
35 |
37 |
|
[SO4]B:503 |
1 |
1 |
184 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
6287 |
1.2 |
-0.2 |
0.726 |
0 |
0 |
0 |
0.000 |
|