## |
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 |
131 |
33 |
11144 |
◊ |
A |
x,y,z |
1_555 |
135 |
33 |
10983 |
1255.5 |
-22.7 |
0.031 |
10 |
10 |
0 |
0.462 |
2 |
|
C |
127 |
31 |
11168 |
◊ |
C |
-x,-x+y,-z+1/3 |
6_555 |
127 |
31 |
11168 |
1237.5 |
-23.0 |
0.030 |
8 |
10 |
0 |
0.462 |
Average: |
1246.5 |
-22.9 |
0.030 |
9 |
10 |
0 |
0.462 |
2 |
3 |
|
C |
44 |
12 |
11168 |
◊ |
A |
x,y,z |
1_555 |
39 |
12 |
10983 |
365.0 |
-4.9 |
0.308 |
2 |
0 |
0 |
0.036 |
3 |
4 |
|
A |
42 |
12 |
10983 |
◊ |
B |
y-1,x,-z |
4_455 |
35 |
12 |
11144 |
343.7 |
-4.6 |
0.296 |
2 |
0 |
0 |
0.000 |
4 |
5 |
|
C |
36 |
9 |
11168 |
◊ |
B |
-y,x-y,z+1/3 |
2_555 |
33 |
12 |
11144 |
323.9 |
-2.7 |
0.464 |
5 |
0 |
0 |
0.030 |
5 |
6 |
|
[GSH]C:301 |
18 |
1 |
502 |
f |
C |
x,y,z |
1_555 |
33 |
14 |
11168 |
263.8 |
-1.7 |
0.806 |
8 |
0 |
0 |
0.156 |
7 |
|
[GSH]B:301 |
19 |
1 |
498 |
f |
B |
x,y,z |
1_555 |
35 |
14 |
11144 |
258.5 |
-1.2 |
0.806 |
8 |
0 |
0 |
0.156 |
8 |
|
[GSH]A:301 |
18 |
1 |
497 |
f |
A |
x,y,z |
1_555 |
34 |
14 |
10983 |
258.1 |
-1.3 |
0.795 |
8 |
0 |
0 |
0.156 |
Average: |
260.1 |
-1.4 |
0.802 |
8 |
0 |
0 |
0.156 |
6 |
9 |
|
C |
24 |
5 |
11168 |
◊ |
B |
y,x,-z |
4_555 |
19 |
9 |
11144 |
190.0 |
0.1 |
0.703 |
1 |
0 |
0 |
0.000 |
7 |
10 |
|
B |
14 |
5 |
11144 |
◊ |
A |
y-1,x,-z |
4_455 |
14 |
4 |
10983 |
111.8 |
-0.2 |
0.614 |
1 |
0 |
0 |
0.000 |
8 |
11 |
|
C |
11 |
5 |
11168 |
◊ |
C |
y,x,-z |
4_555 |
11 |
5 |
11168 |
108.6 |
-1.0 |
0.450 |
0 |
0 |
0 |
0.000 |
9 |
12 |
|
[SO4]C:304 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
11168 |
81.4 |
-11.2 |
0.805 |
3 |
0 |
0 |
0.210 |
10 |
13 |
|
[SO4]B:302 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
11144 |
80.4 |
-10.7 |
0.771 |
3 |
0 |
0 |
0.193 |
11 |
14 |
|
B |
8 |
2 |
11144 |
x |
B |
y-1,x,-z |
4_455 |
7 |
2 |
11144 |
73.2 |
0.7 |
0.748 |
0 |
0 |
0 |
0.000 |
12 |
15 |
|
[SO4]C:302 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
11168 |
69.2 |
-7.7 |
0.679 |
0 |
0 |
0 |
0.129 |
13 |
16 |
|
[SO4]A:302 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
10983 |
67.5 |
-8.9 |
0.892 |
3 |
0 |
0 |
0.165 |
14 |
17 |
|
C |
8 |
4 |
11168 |
◊ |
A |
-x,-x+y,-z+1/3 |
6_555 |
6 |
2 |
10983 |
67.4 |
-2.0 |
0.128 |
0 |
0 |
0 |
0.000 |
15 |
18 |
|
[SO4]C:303 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
11168 |
66.2 |
-8.8 |
0.882 |
3 |
0 |
0 |
0.169 |
16 |
19 |
|
[SO4]C:302 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
10983 |
60.0 |
-7.0 |
0.894 |
1 |
0 |
0 |
0.046 |
17 |
20 |
|
[SO4]C:305 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
11168 |
52.0 |
-6.0 |
0.897 |
3 |
0 |
0 |
0.122 |
18 |
21 |
|
C |
7 |
2 |
11168 |
◊ |
A |
y,x,-z |
4_555 |
8 |
3 |
10983 |
49.7 |
-0.2 |
0.520 |
0 |
0 |
0 |
0.000 |
19 |
22 |
|
[GSH]A:301 |
4 |
1 |
497 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
11144 |
45.0 |
0.2 |
0.703 |
2 |
0 |
0 |
0.024 |
23 |
|
[GSH]B:301 |
4 |
1 |
498 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
10983 |
42.5 |
0.1 |
0.710 |
2 |
0 |
0 |
0.024 |
24 |
|
[GSH]C:301 |
3 |
1 |
502 |
◊ |
C |
-x,-x+y,-z+1/3 |
6_555 |
6 |
2 |
11168 |
41.2 |
0.2 |
0.727 |
1 |
0 |
0 |
0.024 |
Average: |
42.9 |
0.2 |
0.713 |
2 |
0 |
0 |
0.024 |
20 |
25 |
|
[ZN]B:303 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
11144 |
44.7 |
-25.0 |
0.000 |
0 |
0 |
0 |
0.392 |
26 |
|
[ZN]A:303 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
11168 |
35.5 |
-19.4 |
0.000 |
0 |
0 |
0 |
0.392 |
27 |
|
[ZN]A:303 |
1 |
1 |
98 |
c |
A |
x,y,z |
1_555 |
7 |
3 |
10983 |
34.2 |
-18.6 |
0.000 |
0 |
0 |
0 |
0.392 |
Average: |
38.1 |
-21.0 |
0.000 |
0 |
0 |
0 |
0.392 |
21 |
28 |
|
C |
1 |
1 |
11168 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
11144 |
8.4 |
-0.0 |
0.431 |
0 |
0 |
0 |
0.000 |
22 |
29 |
|
C |
2 |
1 |
11168 |
◊ |
[SO4]B:302 |
-y,x-y,z+1/3 |
2_555 |
3 |
1 |
186 |
6.8 |
-0.9 |
0.651 |
0 |
0 |
0 |
0.005 |
23 |
30 |
|
C |
2 |
1 |
11168 |
f |
[ZN]B:303 |
-y,x-y,z+1/3 |
2_555 |
1 |
1 |
98 |
5.5 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.041 |
24 |
31 |
|
[ZN]A:303 |
1 |
1 |
98 |
◊ |
[SO4]C:302 |
x,y,z |
1_555 |
3 |
1 |
186 |
3.8 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.009 |
|