## |
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 |
56 |
17 |
7080 |
◊ |
A |
x,y,z |
1_555 |
56 |
16 |
7128 |
504.5 |
-8.9 |
0.133 |
4 |
0 |
0 |
0.085 |
2 |
2 |
|
[SVR]B:207 |
70 |
1 |
1524 |
◊ |
B |
x,y,z |
1_555 |
49 |
8 |
7080 |
394.4 |
-14.5 |
0.371 |
3 |
0 |
0 |
0.235 |
3 |
3 |
|
[SVR]A:205 |
71 |
1 |
1520 |
◊ |
A |
x,y,z |
1_555 |
44 |
9 |
7128 |
392.0 |
-14.2 |
0.424 |
3 |
0 |
0 |
0.205 |
4 |
4 |
|
A |
45 |
12 |
7128 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
45 |
13 |
7080 |
349.1 |
-0.2 |
0.699 |
7 |
6 |
0 |
0.029 |
5 |
5 |
|
[SVR]B:207 |
43 |
1 |
1524 |
◊ |
[SVR]A:205 |
-x-1,y-1/2,-z+1/2 |
3_445 |
41 |
1 |
1520 |
292.1 |
-12.1 |
1.000 |
2 |
0 |
0 |
0.145 |
6 |
6 |
|
[1PE]A:203 |
16 |
1 |
482 |
f |
A |
x,y,z |
1_555 |
40 |
16 |
7128 |
280.9 |
-2.6 |
0.420 |
3 |
0 |
0 |
0.054 |
7 |
7 |
|
[1PE]B:204 |
15 |
1 |
483 |
f |
B |
x,y,z |
1_555 |
40 |
17 |
7080 |
267.2 |
-2.6 |
0.415 |
3 |
0 |
0 |
0.066 |
8 |
8 |
|
A |
27 |
7 |
7128 |
◊ |
[PE4]B:203 |
-x-1,y-1/2,-z+1/2 |
3_445 |
21 |
1 |
665 |
257.6 |
1.8 |
0.266 |
3 |
0 |
0 |
0.000 |
9 |
9 |
|
[PE4]B:203 |
18 |
1 |
665 |
◊ |
B |
x,y,z |
1_555 |
26 |
7 |
7080 |
238.9 |
5.1 |
0.528 |
3 |
0 |
0 |
0.000 |
10 |
10 |
|
[SVR]A:205 |
32 |
1 |
1520 |
◊ |
B |
x,y,z |
1_555 |
28 |
8 |
7080 |
238.5 |
-7.0 |
0.769 |
1 |
0 |
0 |
0.122 |
11 |
11 |
|
[SVR]B:207 |
29 |
1 |
1524 |
◊ |
A |
x,y,z |
1_555 |
29 |
8 |
7128 |
225.2 |
-6.7 |
0.757 |
1 |
0 |
0 |
0.100 |
12 |
12 |
|
A |
27 |
9 |
7128 |
x |
A |
x-1/2,-y-1/2,-z+1 |
4_446 |
26 |
9 |
7128 |
209.4 |
-0.8 |
0.606 |
3 |
0 |
0 |
0.000 |
13 |
13 |
|
[SVR]B:207 |
24 |
1 |
1524 |
◊ |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
25 |
8 |
7128 |
201.2 |
-9.4 |
0.698 |
6 |
0 |
0 |
0.162 |
14 |
14 |
|
B |
20 |
8 |
7080 |
◊ |
[SVR]A:205 |
-x-1,y-1/2,-z+1/2 |
3_445 |
20 |
1 |
1520 |
172.0 |
-7.7 |
0.776 |
5 |
0 |
0 |
0.164 |
15 |
15 |
|
B |
16 |
5 |
7080 |
x |
B |
-x,y-1/2,-z+1/2 |
3_545 |
22 |
8 |
7080 |
169.8 |
-1.3 |
0.513 |
1 |
1 |
0 |
0.000 |
16 |
16 |
|
B |
17 |
5 |
7080 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
17 |
7 |
7128 |
149.4 |
0.3 |
0.515 |
2 |
0 |
0 |
0.000 |
17 |
17 |
|
[1PE]B:204 |
9 |
1 |
483 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
7128 |
122.7 |
-2.6 |
0.332 |
0 |
0 |
0 |
0.037 |
18 |
|
[1PE]A:203 |
6 |
1 |
482 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
7080 |
102.7 |
-2.1 |
0.319 |
0 |
0 |
0 |
0.037 |
Average: |
112.7 |
-2.4 |
0.325 |
0 |
0 |
0 |
0.037 |
18 |
19 |
|
[SO4]A:201 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
7128 |
95.0 |
-12.1 |
0.937 |
4 |
0 |
0 |
0.193 |
19 |
20 |
|
[SO4]B:201 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
7080 |
94.2 |
-10.6 |
0.944 |
5 |
0 |
0 |
0.212 |
20 |
21 |
|
[SO4]A:204 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
7128 |
91.6 |
-12.1 |
0.865 |
4 |
0 |
0 |
0.192 |
21 |
22 |
|
[SO4]B:205 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
7080 |
90.9 |
-12.1 |
0.879 |
4 |
0 |
0 |
0.230 |
22 |
23 |
|
[SO4]A:202 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
7128 |
88.7 |
-12.3 |
0.892 |
4 |
0 |
0 |
0.195 |
23 |
24 |
|
[SO4]B:202 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
7080 |
87.8 |
-12.2 |
0.843 |
2 |
0 |
0 |
0.216 |
24 |
25 |
|
A |
6 |
2 |
7128 |
◊ |
B |
x-1,y,z |
1_455 |
10 |
3 |
7080 |
81.6 |
-1.0 |
0.459 |
0 |
0 |
0 |
0.000 |
25 |
26 |
|
[SO4]B:206 |
4 |
1 |
186 |
f |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
6 |
3 |
7128 |
61.4 |
-8.0 |
0.908 |
2 |
0 |
0 |
0.123 |
26 |
27 |
|
A |
7 |
4 |
7128 |
◊ |
B |
x-1/2,-y-1/2,-z+1 |
4_446 |
8 |
3 |
7080 |
59.5 |
-0.2 |
0.611 |
0 |
1 |
0 |
0.000 |
27 |
28 |
|
[SO4]B:206 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
7080 |
53.9 |
-6.7 |
0.794 |
2 |
0 |
0 |
0.053 |
28 |
29 |
|
[SVR]A:205 |
5 |
1 |
1520 |
◊ |
[PE4]B:203 |
x,y,z |
1_555 |
3 |
1 |
665 |
37.5 |
0.5 |
0.739 |
0 |
0 |
0 |
0.000 |
29 |
30 |
|
[SVR]B:207 |
6 |
1 |
1524 |
f |
[PE4]B:203 |
-x-1,y-1/2,-z+1/2 |
3_445 |
5 |
1 |
665 |
32.4 |
-1.0 |
0.376 |
0 |
0 |
0 |
0.100 |
30 |
31 |
|
[SVR]B:207 |
3 |
1 |
1524 |
◊ |
[SO4]A:202 |
x,y,z |
1_555 |
3 |
1 |
186 |
31.7 |
-4.1 |
0.904 |
0 |
0 |
0 |
0.057 |
31 |
32 |
|
[SO4]B:202 |
4 |
1 |
185 |
f |
[SO4]B:201 |
x,y,z |
1_555 |
3 |
1 |
186 |
30.1 |
-6.7 |
0.995 |
0 |
0 |
0 |
0.111 |
32 |
33 |
|
B |
5 |
2 |
7080 |
◊ |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
4 |
3 |
7128 |
29.7 |
0.4 |
0.706 |
0 |
0 |
0 |
0.000 |
33 |
34 |
|
[SVR]A:205 |
3 |
1 |
1520 |
◊ |
[SO4]B:202 |
x,y,z |
1_555 |
4 |
1 |
185 |
26.5 |
-3.2 |
0.924 |
0 |
0 |
0 |
0.052 |
34 |
35 |
|
[SO4]A:202 |
4 |
1 |
186 |
f |
[SO4]A:201 |
x,y,z |
1_555 |
3 |
1 |
185 |
25.8 |
-5.6 |
0.995 |
0 |
0 |
0 |
0.078 |
35 |
36 |
|
[SVR]B:207 |
2 |
1 |
1524 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
2 |
1 |
7080 |
24.8 |
-0.8 |
0.353 |
0 |
0 |
0 |
0.006 |
36 |
37 |
|
A |
2 |
1 |
7128 |
◊ |
[SVR]A:205 |
-x-1,y-1/2,-z+1/2 |
3_445 |
2 |
1 |
1520 |
21.2 |
-0.7 |
0.403 |
0 |
0 |
0 |
0.005 |
37 |
38 |
|
A |
1 |
1 |
7128 |
◊ |
[SO4]B:205 |
x-1/2,-y-1/2,-z+1 |
4_446 |
1 |
1 |
185 |
12.4 |
-1.1 |
0.873 |
0 |
0 |
0 |
0.000 |
38 |
39 |
|
A |
1 |
1 |
7128 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
7080 |
10.1 |
0.4 |
0.789 |
0 |
0 |
0 |
0.000 |
39 |
40 |
|
[SVR]B:207 |
1 |
1 |
1524 |
◊ |
[SO4]B:206 |
x,y,z |
1_555 |
1 |
1 |
186 |
8.0 |
-1.4 |
0.537 |
0 |
0 |
0 |
0.018 |
40 |
41 |
|
[SVR]A:205 |
2 |
1 |
1520 |
◊ |
[1PE]B:204 |
x,y,z |
1_555 |
1 |
1 |
483 |
6.2 |
-0.2 |
0.691 |
0 |
0 |
0 |
0.003 |
41 |
42 |
|
[PE4]B:203 |
1 |
1 |
665 |
◊ |
[SO4]B:202 |
x,y,z |
1_555 |
1 |
1 |
185 |
0.8 |
-0.1 |
0.577 |
0 |
0 |
0 |
0.000 |
|