## |
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 |
136 |
35 |
6800 |
◊ |
A |
x,y,z |
1_555 |
139 |
42 |
15787 |
1287.7 |
-11.8 |
0.106 |
20 |
4 |
0 |
0.562 |
2 |
|
D |
136 |
35 |
6820 |
◊ |
C |
x,y,z |
1_555 |
139 |
41 |
15356 |
1268.1 |
-7.1 |
0.255 |
22 |
5 |
0 |
0.562 |
Average: |
1277.9 |
-9.5 |
0.180 |
21 |
5 |
0 |
0.562 |
2 |
3 |
|
E |
79 |
9 |
1561 |
◊ |
C |
x,y,z |
1_555 |
130 |
34 |
15356 |
958.9 |
-8.5 |
0.387 |
15 |
2 |
0 |
0.806 |
4 |
|
F |
77 |
9 |
1601 |
◊ |
A |
x,y,z |
1_555 |
130 |
37 |
15787 |
948.6 |
-8.5 |
0.386 |
16 |
3 |
0 |
0.806 |
Average: |
953.7 |
-8.5 |
0.386 |
16 |
3 |
0 |
0.806 |
3 |
5 |
|
A |
92 |
23 |
15787 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
92 |
23 |
15356 |
753.4 |
-1.8 |
0.404 |
6 |
6 |
0 |
0.055 |
4 |
6 |
|
C |
49 |
20 |
15356 |
x |
C |
x-1/2,-y-1/2,-z |
4_445 |
58 |
20 |
15356 |
490.0 |
-0.6 |
0.427 |
4 |
4 |
0 |
0.000 |
5 |
7 |
|
A |
50 |
13 |
15787 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
41 |
12 |
15356 |
423.0 |
2.0 |
0.642 |
6 |
3 |
0 |
0.000 |
6 |
8 |
|
C |
44 |
10 |
15356 |
x |
C |
x-1,y,z |
1_455 |
29 |
8 |
15356 |
302.7 |
-1.2 |
0.317 |
4 |
0 |
0 |
0.000 |
7 |
9 |
|
C |
39 |
13 |
15356 |
◊ |
A |
x,y,z |
1_555 |
33 |
13 |
15787 |
281.8 |
-2.1 |
0.311 |
2 |
0 |
0 |
0.000 |
8 |
10 |
|
D |
23 |
6 |
6820 |
◊ |
A |
x,y,z |
1_555 |
23 |
6 |
15787 |
185.2 |
1.7 |
0.736 |
2 |
0 |
0 |
0.000 |
9 |
11 |
|
C |
21 |
8 |
15356 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
19 |
7 |
15787 |
159.1 |
-0.8 |
0.346 |
1 |
0 |
0 |
0.000 |
10 |
12 |
|
F |
20 |
5 |
1601 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
20 |
5 |
15356 |
158.3 |
-0.9 |
0.616 |
4 |
0 |
0 |
0.043 |
13 |
|
A |
14 |
5 |
15787 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
13 |
2 |
1561 |
106.0 |
-1.4 |
0.454 |
0 |
0 |
0 |
0.043 |
Average: |
132.1 |
-1.2 |
0.535 |
2 |
0 |
0 |
0.043 |
11 |
14 |
|
A |
18 |
8 |
15787 |
x |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
13 |
5 |
15787 |
135.6 |
0.2 |
0.493 |
2 |
0 |
0 |
0.000 |
12 |
15 |
|
F |
14 |
3 |
1601 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
13 |
3 |
1561 |
96.2 |
-2.8 |
0.444 |
0 |
0 |
0 |
0.029 |
13 |
16 |
|
[SO4]C:303 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
15356 |
93.9 |
-12.1 |
0.863 |
3 |
0 |
0 |
0.226 |
14 |
17 |
|
[SO4]D:101 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
21 |
10 |
6820 |
90.2 |
-12.2 |
0.742 |
2 |
0 |
0 |
0.145 |
15 |
18 |
|
[SO4]C:301 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
15356 |
77.0 |
-9.9 |
0.877 |
3 |
0 |
0 |
0.188 |
16 |
19 |
|
[SO4]D:101 |
5 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
15356 |
65.7 |
-8.8 |
0.682 |
1 |
0 |
0 |
0.102 |
17 |
20 |
|
C |
6 |
3 |
15356 |
◊ |
[SO4]C:301 |
x-1,y,z |
1_455 |
5 |
1 |
186 |
54.5 |
-5.9 |
0.884 |
1 |
0 |
0 |
0.000 |
18 |
21 |
|
[CL]B:101 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
6800 |
53.2 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.168 |
22 |
|
[CL]D:102 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
6820 |
48.3 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.168 |
Average: |
50.8 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.168 |
19 |
23 |
|
[SO4]C:302 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
15356 |
50.2 |
-4.9 |
0.962 |
2 |
0 |
0 |
0.096 |
20 |
24 |
|
[CL]C:304 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
15356 |
47.9 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.106 |
21 |
25 |
|
A |
6 |
3 |
15787 |
◊ |
[SO4]C:302 |
x-1/2,-y-1/2,-z |
4_445 |
4 |
1 |
185 |
44.7 |
-3.6 |
0.954 |
2 |
0 |
0 |
0.047 |
22 |
26 |
|
[CL]A:302 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
15787 |
38.8 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.194 |
23 |
27 |
|
[CL]A:301 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
15787 |
28.4 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.064 |
24 |
28 |
|
A |
3 |
1 |
15787 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
3 |
1 |
6820 |
26.7 |
0.4 |
0.739 |
0 |
0 |
0 |
0.000 |
25 |
29 |
|
[NA]C:305 |
1 |
1 |
125 |
f |
[CL]C:304 |
x,y,z |
1_555 |
1 |
1 |
125 |
25.8 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.087 |
26 |
30 |
|
C |
1 |
1 |
15356 |
◊ |
[NA]C:305 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
25.7 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
27 |
31 |
|
[CL]A:301 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
6800 |
22.7 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.065 |
28 |
32 |
|
[NA]C:305 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
15356 |
18.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.038 |
29 |
33 |
|
[CL]B:101 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
15787 |
12.9 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.040 |
34 |
|
[CL]D:102 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
15356 |
7.2 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.040 |
Average: |
10.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.040 |
30 |
35 |
|
C |
3 |
1 |
15356 |
◊ |
[SO4]C:303 |
x-1,y,z |
1_455 |
1 |
1 |
184 |
10.2 |
-1.3 |
0.660 |
0 |
0 |
0 |
0.000 |
31 |
36 |
|
A |
2 |
1 |
15787 |
◊ |
[SO4]C:303 |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
184 |
2.6 |
-0.3 |
0.821 |
0 |
0 |
0 |
0.003 |
32 |
37 |
|
D |
1 |
1 |
6820 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
15787 |
2.5 |
0.1 |
0.666 |
0 |
0 |
0 |
0.000 |
33 |
38 |
|
C |
1 |
1 |
15356 |
◊ |
[CL]C:304 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
0.8 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|