## |
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 |
85 |
25 |
11398 |
◊ |
B |
-x,y,-z |
2_555 |
98 |
32 |
11169 |
854.3 |
-2.3 |
0.599 |
9 |
10 |
0 |
0.042 |
2 |
2 |
|
C |
63 |
16 |
11398 |
◊ |
A |
x,y,z |
1_555 |
58 |
16 |
11248 |
598.8 |
-11.3 |
0.027 |
0 |
0 |
0 |
0.007 |
3 |
3 |
|
B |
67 |
18 |
11169 |
◊ |
C |
x,y,z-1 |
1_554 |
70 |
20 |
11398 |
578.9 |
-4.0 |
0.407 |
7 |
0 |
0 |
0.039 |
4 |
4 |
|
B |
48 |
14 |
11169 |
x |
B |
x,y-1,z |
1_545 |
63 |
16 |
11169 |
507.8 |
-5.0 |
0.196 |
0 |
0 |
0 |
0.000 |
5 |
5 |
|
C |
47 |
16 |
11398 |
◊ |
C |
-x,y,-z |
2_555 |
48 |
16 |
11398 |
503.1 |
-0.9 |
0.630 |
8 |
0 |
0 |
0.000 |
6 |
6 |
|
B |
61 |
17 |
11169 |
◊ |
A |
x,y,z |
1_555 |
49 |
14 |
11248 |
483.1 |
-3.1 |
0.228 |
4 |
1 |
0 |
0.003 |
7 |
7 |
|
A |
31 |
12 |
11248 |
x |
A |
-x+1/2,y-1/2,-z |
4_545 |
40 |
12 |
11248 |
370.5 |
-2.8 |
0.376 |
3 |
0 |
0 |
0.000 |
8 |
8 |
|
C |
40 |
12 |
11398 |
x |
C |
x,y-1,z |
1_545 |
33 |
12 |
11398 |
342.0 |
-4.5 |
0.193 |
0 |
0 |
0 |
0.000 |
9 |
9 |
|
A |
35 |
9 |
11248 |
x |
A |
x,y-1,z |
1_545 |
33 |
11 |
11248 |
288.0 |
-2.9 |
0.348 |
3 |
0 |
0 |
0.000 |
10 |
10 |
|
[SO4]C:301 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
23 |
10 |
11398 |
121.3 |
-16.5 |
0.741 |
5 |
0 |
0 |
0.104 |
11 |
11 |
|
[SO4]B:301 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
23 |
11 |
11169 |
120.4 |
-16.3 |
0.756 |
5 |
0 |
0 |
0.103 |
12 |
12 |
|
[EDO]A:306 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
11248 |
119.4 |
3.9 |
0.543 |
2 |
0 |
0 |
0.000 |
13 |
13 |
|
[SO4]A:301 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
23 |
9 |
11248 |
112.9 |
-15.6 |
0.857 |
5 |
0 |
0 |
0.025 |
14 |
14 |
|
[GOL]C:308 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
15 |
4 |
11398 |
100.6 |
-0.6 |
0.487 |
3 |
0 |
0 |
0.011 |
15 |
15 |
|
[GOL]B:306 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
11169 |
99.8 |
-0.5 |
0.521 |
1 |
0 |
0 |
0.005 |
16 |
16 |
|
[SO4]A:303 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
11248 |
88.1 |
-12.0 |
0.872 |
5 |
0 |
0 |
0.020 |
17 |
17 |
|
[SO4]A:302 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
11248 |
85.9 |
-13.2 |
0.654 |
2 |
0 |
0 |
0.020 |
18 |
18 |
|
[SO4]A:304 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
11248 |
80.6 |
-11.2 |
0.798 |
2 |
0 |
0 |
0.017 |
19 |
19 |
|
B |
13 |
6 |
11169 |
◊ |
[GOL]B:306 |
x,y-1,z |
1_545 |
4 |
1 |
219 |
79.6 |
0.1 |
0.594 |
1 |
0 |
0 |
0.000 |
20 |
20 |
|
[SO4]B:304 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
11169 |
79.3 |
-10.4 |
0.898 |
3 |
0 |
0 |
0.065 |
21 |
21 |
|
B |
10 |
3 |
11169 |
◊ |
A |
x,y-1,z |
1_545 |
6 |
3 |
11248 |
78.4 |
-1.4 |
0.207 |
0 |
0 |
0 |
0.000 |
22 |
22 |
|
[CL]A:305 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
11248 |
77.5 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.133 |
23 |
|
[CL]B:305 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
11169 |
76.7 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.133 |
24 |
|
[CL]C:307 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
13 |
8 |
11398 |
75.2 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.133 |
Average: |
76.5 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.133 |
23 |
25 |
|
[SO4]B:303 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
11169 |
76.8 |
-10.6 |
0.778 |
2 |
0 |
0 |
0.063 |
24 |
26 |
|
[SO4]C:304 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
11398 |
75.3 |
-9.5 |
0.913 |
2 |
0 |
0 |
0.057 |
25 |
27 |
|
[SO4]C:305 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
11398 |
75.2 |
-11.4 |
0.647 |
2 |
0 |
0 |
0.068 |
26 |
28 |
|
[SO4]C:302 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
11398 |
69.4 |
-8.9 |
0.924 |
3 |
0 |
0 |
0.057 |
27 |
29 |
|
[CL]C:310 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
11398 |
68.7 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.054 |
28 |
30 |
|
[SO4]B:302 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
11169 |
63.8 |
-7.9 |
0.875 |
2 |
0 |
0 |
0.048 |
29 |
31 |
|
[CL]B:307 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
11169 |
63.7 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.042 |
30 |
32 |
|
[SO4]C:303 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
11398 |
54.0 |
-7.1 |
0.716 |
1 |
0 |
0 |
0.042 |
31 |
33 |
|
[CL]C:309 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
11398 |
52.9 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.037 |
32 |
34 |
|
C |
7 |
3 |
11398 |
◊ |
[SO4]C:305 |
x,y-1,z |
1_545 |
4 |
1 |
186 |
52.4 |
-5.7 |
0.936 |
4 |
0 |
0 |
0.000 |
33 |
35 |
|
[CL]C:306 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
13 |
8 |
11398 |
49.3 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.069 |
36 |
|
B |
14 |
8 |
11169 |
◊ |
[CL]C:306 |
x,y,z-1 |
1_554 |
1 |
1 |
125 |
48.7 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.069 |
Average: |
49.0 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.069 |
34 |
37 |
|
[CL]C:309 |
1 |
1 |
125 |
◊ |
C |
x,y-1,z |
1_545 |
5 |
2 |
11398 |
32.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
38 |
|
[EDO]A:306 |
2 |
1 |
185 |
f |
[SO4]A:301 |
x,y,z |
1_555 |
4 |
1 |
183 |
31.3 |
-2.8 |
0.999 |
2 |
0 |
0 |
0.005 |
36 |
39 |
|
[SO4]A:304 |
2 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
11169 |
30.2 |
-3.5 |
0.856 |
0 |
0 |
0 |
0.002 |
37 |
40 |
|
A |
1 |
1 |
11248 |
◊ |
[SO4]A:302 |
-x+1/2,y-1/2,-z |
4_545 |
4 |
1 |
186 |
21.6 |
-1.9 |
0.950 |
0 |
0 |
0 |
0.000 |
38 |
41 |
|
C |
6 |
2 |
11398 |
◊ |
[SO4]C:302 |
x,y-1,z |
1_545 |
3 |
1 |
184 |
20.3 |
-2.4 |
0.787 |
0 |
0 |
0 |
0.000 |
39 |
42 |
|
[SO4]B:304 |
1 |
1 |
185 |
◊ |
[SO4]A:304 |
x,y,z |
1_555 |
4 |
1 |
185 |
17.4 |
-3.8 |
0.894 |
0 |
0 |
0 |
0.002 |
40 |
43 |
|
C |
2 |
1 |
11398 |
◊ |
[CL]C:310 |
x,y-1,z |
1_545 |
1 |
1 |
125 |
13.2 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
41 |
44 |
|
B |
2 |
2 |
11169 |
◊ |
B |
-x,y,-z-1 |
2_554 |
2 |
2 |
11169 |
10.3 |
0.4 |
0.818 |
0 |
0 |
0 |
0.000 |
42 |
45 |
|
A |
2 |
1 |
11248 |
◊ |
[SO4]A:303 |
x,y-1,z |
1_545 |
1 |
1 |
185 |
8.9 |
-1.0 |
0.784 |
0 |
0 |
0 |
0.000 |
43 |
46 |
|
[GOL]C:308 |
1 |
1 |
219 |
f |
[SO4]C:303 |
x,y,z |
1_555 |
1 |
1 |
185 |
5.1 |
-0.6 |
0.632 |
0 |
0 |
0 |
0.003 |
|