## |
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 |
144 |
43 |
14228 |
◊ |
A |
x,y,z |
1_555 |
147 |
37 |
13962 |
1357.9 |
-13.1 |
0.230 |
11 |
3 |
0 |
0.215 |
2 |
|
D |
133 |
36 |
14116 |
◊ |
C |
x,y,z |
1_555 |
136 |
38 |
14163 |
1230.5 |
-14.5 |
0.209 |
11 |
4 |
0 |
0.215 |
Average: |
1294.2 |
-13.8 |
0.219 |
11 |
4 |
0 |
0.215 |
2 |
3 |
|
A |
63 |
20 |
13962 |
◊ |
A |
-x,y,-z+1 |
2_556 |
63 |
20 |
13962 |
603.7 |
1.2 |
0.802 |
6 |
8 |
0 |
0.014 |
3 |
4 |
|
C |
38 |
11 |
14163 |
◊ |
B |
x,y,z |
1_555 |
40 |
12 |
14228 |
455.6 |
-6.8 |
0.126 |
6 |
0 |
0 |
0.004 |
4 |
5 |
|
B |
40 |
13 |
14228 |
◊ |
C |
x,y-1,z |
1_545 |
42 |
13 |
14163 |
438.2 |
-0.8 |
0.689 |
10 |
2 |
0 |
0.000 |
5 |
6 |
|
[ACP]D:802 |
31 |
1 |
620 |
f |
D |
x,y,z |
1_555 |
56 |
23 |
14116 |
407.9 |
-3.5 |
0.525 |
5 |
0 |
0 |
0.087 |
7 |
|
[ACP]C:802 |
29 |
1 |
617 |
f |
C |
x,y,z |
1_555 |
50 |
24 |
14163 |
404.3 |
-2.1 |
0.574 |
5 |
0 |
0 |
0.087 |
Average: |
406.1 |
-2.8 |
0.550 |
5 |
0 |
0 |
0.087 |
6 |
8 |
|
[ACP]A:802 |
29 |
1 |
622 |
cf |
A |
x,y,z |
1_555 |
53 |
22 |
13962 |
405.0 |
-2.6 |
0.493 |
3 |
0 |
0 |
0.092 |
9 |
|
[ACP]B:802 |
28 |
1 |
608 |
f |
B |
x,y,z |
1_555 |
56 |
23 |
14228 |
402.8 |
-2.6 |
0.548 |
3 |
0 |
0 |
0.092 |
Average: |
403.9 |
-2.6 |
0.520 |
3 |
0 |
0 |
0.092 |
7 |
10 |
|
B |
41 |
11 |
14228 |
◊ |
D |
x,y-1,z+1 |
1_546 |
34 |
13 |
14116 |
367.5 |
-3.1 |
0.393 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
B |
33 |
8 |
14228 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
39 |
13 |
14163 |
317.1 |
1.1 |
0.788 |
3 |
4 |
0 |
0.000 |
9 |
12 |
|
A |
29 |
10 |
13962 |
◊ |
A |
-x,y,-z |
2_555 |
31 |
12 |
13962 |
231.6 |
1.9 |
0.839 |
0 |
0 |
0 |
0.000 |
10 |
13 |
|
D |
23 |
7 |
14116 |
◊ |
A |
x,y,z |
1_555 |
21 |
7 |
13962 |
222.8 |
-2.4 |
0.349 |
2 |
0 |
0 |
0.002 |
11 |
14 |
|
B |
19 |
7 |
14228 |
◊ |
A |
-x,y,-z+1 |
2_556 |
16 |
5 |
13962 |
174.3 |
-1.8 |
0.373 |
1 |
1 |
0 |
0.025 |
12 |
15 |
|
[SO4]C:801 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
16 |
9 |
14163 |
109.4 |
-15.3 |
0.851 |
8 |
0 |
0 |
0.165 |
13 |
16 |
|
[SO4]B:801 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
14228 |
108.7 |
-15.1 |
0.848 |
6 |
0 |
0 |
0.207 |
14 |
17 |
|
[SO4]A:801 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
13962 |
99.4 |
-13.0 |
0.953 |
5 |
0 |
0 |
0.177 |
15 |
18 |
|
[SO4]D:801 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
14116 |
90.3 |
-12.6 |
0.904 |
9 |
0 |
0 |
0.145 |
16 |
19 |
|
[SO4]C:804 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
14163 |
89.3 |
-13.7 |
0.720 |
5 |
0 |
0 |
0.140 |
17 |
20 |
|
[SO4]A:803 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
13962 |
84.2 |
-13.0 |
0.719 |
4 |
0 |
0 |
0.172 |
18 |
21 |
|
[SO4]B:803 |
5 |
1 |
186 |
f |
A |
-x,y,-z+1 |
2_556 |
10 |
3 |
13962 |
75.3 |
-10.8 |
0.755 |
3 |
0 |
0 |
0.142 |
19 |
22 |
|
[SO4]B:803 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
14228 |
64.8 |
-9.0 |
0.639 |
0 |
0 |
0 |
0.091 |
20 |
23 |
|
[MG]D:804 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
14116 |
45.1 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.057 |
21 |
24 |
|
[MG]C:803 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
14163 |
41.8 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.095 |
25 |
|
[MG]D:803 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
14116 |
37.8 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.095 |
Average: |
39.8 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.095 |
22 |
26 |
|
D |
6 |
2 |
14116 |
◊ |
C |
x,y,z-1 |
1_554 |
5 |
3 |
14163 |
39.1 |
0.0 |
0.578 |
0 |
0 |
0 |
0.000 |
23 |
27 |
|
[MG]D:803 |
1 |
1 |
98 |
f |
[ACP]D:802 |
x,y,z |
1_555 |
5 |
1 |
620 |
36.7 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.099 |
28 |
|
[MG]C:803 |
1 |
1 |
98 |
f |
[ACP]C:802 |
x,y,z |
1_555 |
5 |
1 |
617 |
34.5 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.099 |
Average: |
35.6 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.099 |
24 |
29 |
|
[MG]D:804 |
1 |
1 |
98 |
f |
[ACP]D:802 |
x,y,z |
1_555 |
2 |
1 |
620 |
29.7 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.038 |
25 |
30 |
|
[ACP]A:802 |
3 |
1 |
622 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
14228 |
12.2 |
0.4 |
0.675 |
0 |
0 |
0 |
0.000 |
26 |
31 |
|
A |
2 |
1 |
13962 |
◊ |
B |
x,y,z-1 |
1_554 |
1 |
1 |
14228 |
4.1 |
-0.0 |
0.503 |
0 |
0 |
0 |
0.000 |
|