## |
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 |
|
C |
41 |
10 |
1267 |
◊ |
A |
x,y,z |
1_555 |
58 |
15 |
4033 |
452.3 |
-7.8 |
0.445 |
5 |
0 |
0 |
0.368 |
2 |
|
D |
40 |
10 |
1266 |
◊ |
B |
x,y,z |
1_555 |
59 |
16 |
3643 |
451.8 |
-7.5 |
0.466 |
4 |
0 |
0 |
0.368 |
Average: |
452.0 |
-7.7 |
0.456 |
5 |
0 |
0 |
0.368 |
2 |
3 |
|
B |
42 |
12 |
3643 |
◊ |
A |
x,y,z |
1_555 |
38 |
12 |
4033 |
352.6 |
-0.4 |
0.630 |
5 |
0 |
0 |
0.083 |
3 |
4 |
|
A |
42 |
13 |
4033 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
31 |
6 |
1266 |
322.3 |
-4.0 |
0.637 |
5 |
0 |
0 |
0.035 |
5 |
|
B |
34 |
10 |
3643 |
◊ |
C |
-x-1,y-1/2,-z-1/2 |
3_444 |
31 |
6 |
1267 |
296.3 |
-3.6 |
0.601 |
5 |
0 |
0 |
0.035 |
Average: |
309.3 |
-3.8 |
0.619 |
5 |
0 |
0 |
0.035 |
4 |
6 |
|
B |
30 |
12 |
3643 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
31 |
10 |
4033 |
277.8 |
-1.8 |
0.441 |
3 |
0 |
0 |
0.000 |
5 |
7 |
|
A |
24 |
9 |
4033 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
27 |
9 |
3643 |
219.1 |
0.4 |
0.666 |
3 |
0 |
0 |
0.000 |
8 |
|
B |
16 |
7 |
3643 |
◊ |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
20 |
8 |
4033 |
174.3 |
0.1 |
0.643 |
2 |
0 |
0 |
0.000 |
Average: |
196.7 |
0.3 |
0.654 |
3 |
0 |
0 |
0.000 |
6 |
9 |
|
A |
18 |
5 |
4033 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
17 |
5 |
4033 |
149.2 |
0.0 |
0.553 |
3 |
0 |
0 |
0.000 |
7 |
10 |
|
A |
6 |
4 |
4033 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
9 |
3 |
1267 |
80.9 |
-1.2 |
0.570 |
0 |
0 |
0 |
0.000 |
8 |
11 |
|
[SO4]B:1 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
3643 |
67.5 |
-10.1 |
0.658 |
2 |
0 |
0 |
0.433 |
9 |
12 |
|
[SO4]A:2 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
4033 |
63.3 |
-9.7 |
0.652 |
2 |
0 |
0 |
0.346 |
10 |
13 |
|
[ACE]C:0 |
3 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
3643 |
60.2 |
0.3 |
0.804 |
0 |
0 |
0 |
0.000 |
11 |
14 |
|
[ACE]D:0 |
3 |
1 |
172 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
4033 |
51.1 |
-0.7 |
0.705 |
0 |
0 |
0 |
0.001 |
12 |
15 |
|
[ACE]D:0 |
3 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
3643 |
48.0 |
0.1 |
0.843 |
0 |
0 |
0 |
0.000 |
13 |
16 |
|
[ACE]D:0 |
3 |
1 |
172 |
cf |
D |
x,y,z |
1_555 |
6 |
2 |
1266 |
46.2 |
-0.2 |
0.895 |
1 |
0 |
0 |
0.100 |
14 |
17 |
|
[ACE]C:0 |
3 |
1 |
172 |
cf |
C |
x,y,z |
1_555 |
5 |
2 |
1267 |
41.0 |
-0.2 |
0.891 |
0 |
0 |
0 |
0.100 |
15 |
18 |
|
[ACE]C:0 |
3 |
1 |
172 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
4033 |
37.5 |
-0.4 |
0.674 |
1 |
0 |
0 |
0.027 |
16 |
19 |
|
[SO4]A:2 |
3 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
1267 |
34.3 |
-4.3 |
0.927 |
2 |
0 |
0 |
0.168 |
17 |
20 |
|
[SO4]B:1 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
4033 |
31.9 |
-3.3 |
0.902 |
1 |
0 |
0 |
0.117 |
18 |
21 |
|
[SO4]A:2 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
3643 |
30.7 |
-2.8 |
0.973 |
2 |
0 |
0 |
0.117 |
19 |
22 |
|
[ACE]C:0 |
2 |
1 |
172 |
◊ |
[SO4]A:2 |
x,y,z |
1_555 |
4 |
1 |
183 |
28.6 |
-3.8 |
0.942 |
0 |
0 |
0 |
0.124 |
20 |
23 |
|
[SO4]B:1 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
1266 |
27.4 |
-3.6 |
0.869 |
0 |
0 |
0 |
0.142 |
21 |
24 |
|
C |
2 |
1 |
1267 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
3643 |
18.5 |
0.5 |
0.817 |
0 |
0 |
0 |
0.000 |
22 |
25 |
|
D |
1 |
1 |
1266 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
4033 |
17.7 |
0.2 |
0.740 |
0 |
0 |
0 |
0.000 |
23 |
26 |
|
B |
4 |
2 |
3643 |
◊ |
D |
-x-3/2,-y,z-1/2 |
2_354 |
2 |
1 |
1266 |
14.3 |
0.1 |
0.700 |
0 |
0 |
0 |
0.000 |
24 |
27 |
|
C |
1 |
1 |
1267 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
3643 |
9.0 |
0.0 |
0.604 |
0 |
0 |
0 |
0.000 |
28 |
|
D |
1 |
1 |
1266 |
◊ |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
1 |
1 |
4033 |
2.3 |
0.0 |
0.691 |
0 |
0 |
0 |
0.000 |
Average: |
5.6 |
0.0 |
0.647 |
0 |
0 |
0 |
0.000 |
25 |
29 |
|
C |
2 |
1 |
1267 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
1266 |
7.9 |
-0.0 |
0.716 |
0 |
0 |
0 |
0.000 |
30 |
|
D |
1 |
1 |
1266 |
◊ |
C |
-x-1,y-1/2,-z-1/2 |
3_444 |
1 |
1 |
1267 |
6.3 |
-0.0 |
0.639 |
0 |
0 |
0 |
0.000 |
Average: |
7.1 |
-0.0 |
0.678 |
0 |
0 |
0 |
0.000 |
26 |
31 |
|
[ACE]D:0 |
2 |
1 |
172 |
◊ |
[SO4]B:1 |
x,y,z |
1_555 |
2 |
1 |
185 |
6.4 |
-0.9 |
0.924 |
0 |
0 |
0 |
0.036 |
27 |
32 |
|
B |
1 |
1 |
3643 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
4033 |
5.8 |
-0.1 |
0.488 |
0 |
0 |
0 |
0.000 |
|