## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
D |
75 |
18 |
7751 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
98 |
25 |
7969 |
787.6 |
-4.7 |
0.516 |
9 |
0 |
0 |
0.147 |
2 |
|
C |
54 |
13 |
7659 |
◊ |
A |
x,y,z |
1_555 |
77 |
22 |
8400 |
615.8 |
-3.9 |
0.506 |
6 |
0 |
0 |
0.069 |
3 |
|
D |
62 |
18 |
7751 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
47 |
13 |
8400 |
512.1 |
-6.8 |
0.125 |
7 |
0 |
0 |
0.241 |
4 |
|
A |
55 |
16 |
8400 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
52 |
14 |
7659 |
462.2 |
-2.9 |
0.568 |
4 |
3 |
0 |
0.000 |
5 |
|
B |
40 |
14 |
7969 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
54 |
17 |
7659 |
449.9 |
-4.5 |
0.123 |
6 |
0 |
0 |
0.122 |
6 |
|
B |
51 |
14 |
7969 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
54 |
14 |
8400 |
446.2 |
-1.8 |
0.601 |
6 |
1 |
0 |
0.084 |
7 |
|
D |
39 |
10 |
7751 |
◊ |
A |
x,y,z |
1_555 |
36 |
9 |
8400 |
340.1 |
-3.5 |
0.408 |
2 |
0 |
0 |
0.000 |
8 |
|
B |
24 |
6 |
7969 |
◊ |
A |
x,y,z |
1_555 |
24 |
9 |
8400 |
230.9 |
-0.3 |
0.639 |
3 |
4 |
0 |
0.000 |
9 |
|
C |
23 |
5 |
7659 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
30 |
11 |
7751 |
220.9 |
-1.4 |
0.489 |
1 |
0 |
0 |
0.000 |
10 |
|
A |
21 |
5 |
8400 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
19 |
8 |
7751 |
219.5 |
1.4 |
0.795 |
4 |
4 |
0 |
0.000 |
11 |
|
[NHE]D:202 |
11 |
1 |
371 |
◊ |
B |
x,y,z |
1_555 |
30 |
9 |
7969 |
172.8 |
4.0 |
0.374 |
0 |
0 |
0 |
0.000 |
12 |
|
D |
14 |
4 |
7751 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
7969 |
151.0 |
-0.3 |
0.614 |
1 |
4 |
0 |
0.000 |
13 |
|
[EDO]B:201 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
20 |
7 |
7969 |
109.3 |
3.5 |
0.515 |
1 |
0 |
0 |
0.000 |
14 |
|
[SO4]B:208 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
7969 |
98.4 |
-14.5 |
0.779 |
1 |
0 |
0 |
0.276 |
15 |
|
[NHE]D:202 |
9 |
1 |
371 |
◊ |
D |
x,y,z |
1_555 |
16 |
3 |
7751 |
97.4 |
0.7 |
0.076 |
1 |
0 |
0 |
0.000 |
16 |
|
[SO4]A:201 |
5 |
1 |
190 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
8400 |
95.8 |
-14.0 |
0.818 |
1 |
0 |
0 |
0.350 |
17 |
|
B |
10 |
3 |
7969 |
◊ |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
11 |
4 |
7659 |
94.3 |
0.4 |
0.712 |
0 |
0 |
0 |
0.000 |
18 |
|
[EDO]B:202 |
4 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
17 |
5 |
7969 |
90.9 |
2.2 |
0.264 |
1 |
0 |
0 |
0.000 |
19 |
|
[SO4]C:201 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
7659 |
87.9 |
-13.1 |
0.823 |
4 |
0 |
0 |
0.253 |
20 |
|
[SO4]B:207 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
7969 |
79.4 |
-12.2 |
0.680 |
3 |
0 |
0 |
0.249 |
21 |
|
[SO4]D:201 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
7751 |
75.9 |
-11.5 |
0.771 |
5 |
0 |
0 |
0.333 |
22 |
|
[EDO]B:206 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
7969 |
74.4 |
1.5 |
0.695 |
1 |
0 |
0 |
0.000 |
23 |
|
[SO4]B:207 |
4 |
1 |
188 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
12 |
5 |
8400 |
61.1 |
-8.4 |
0.725 |
0 |
0 |
0 |
0.154 |
24 |
|
[SO4]D:201 |
4 |
1 |
185 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
6 |
2 |
7969 |
56.7 |
-6.9 |
0.694 |
1 |
0 |
0 |
0.125 |
25 |
|
C |
5 |
2 |
7659 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
7969 |
55.1 |
-0.6 |
0.335 |
0 |
0 |
0 |
0.000 |
26 |
|
[SO4]C:202 |
4 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
7659 |
52.5 |
-6.8 |
0.779 |
0 |
0 |
0 |
0.116 |
27 |
|
[EDO]B:203 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
7969 |
51.1 |
0.8 |
0.584 |
0 |
0 |
0 |
0.000 |
28 |
|
B |
4 |
1 |
7969 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
8 |
2 |
7751 |
46.4 |
-0.9 |
0.364 |
0 |
0 |
0 |
0.000 |
29 |
|
B |
4 |
2 |
7969 |
◊ |
[SO4]C:202 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
187 |
44.5 |
-5.1 |
0.916 |
2 |
0 |
0 |
0.101 |
30 |
|
[NHE]D:202 |
7 |
1 |
371 |
◊ |
[EDO]B:206 |
x,y,z |
1_555 |
2 |
1 |
186 |
44.3 |
2.3 |
0.116 |
0 |
0 |
0 |
0.000 |
31 |
|
[NHE]D:202 |
4 |
1 |
371 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
8400 |
38.0 |
1.1 |
0.174 |
3 |
0 |
0 |
0.005 |
32 |
|
[EDO]B:204 |
3 |
1 |
185 |
f |
[EDO]B:203 |
x,y,z |
1_555 |
4 |
1 |
186 |
34.2 |
1.0 |
1.000 |
1 |
0 |
0 |
0.000 |
33 |
|
[SO4]D:201 |
2 |
1 |
185 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
5 |
2 |
8400 |
25.0 |
-3.2 |
0.747 |
0 |
0 |
0 |
0.078 |
34 |
|
[EDO]B:205 |
2 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
7969 |
20.7 |
0.8 |
0.882 |
0 |
0 |
0 |
0.000 |
35 |
|
D |
4 |
1 |
7751 |
◊ |
[SO4]B:208 |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
1 |
186 |
20.2 |
-2.7 |
0.709 |
0 |
0 |
0 |
0.047 |
36 |
|
[NHE]D:202 |
3 |
1 |
371 |
◊ |
[EDO]B:201 |
x,y,z |
1_555 |
1 |
1 |
187 |
18.7 |
0.8 |
0.371 |
0 |
0 |
0 |
0.000 |
37 |
|
[SO4]A:201 |
1 |
1 |
190 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
7659 |
17.0 |
-2.3 |
0.664 |
0 |
0 |
0 |
0.024 |
38 |
|
[EDO]B:206 |
1 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
2 |
2 |
7751 |
14.8 |
0.2 |
0.841 |
0 |
0 |
0 |
0.000 |
39 |
|
[EDO]B:205 |
2 |
1 |
184 |
f |
[EDO]B:203 |
x,y,z |
1_555 |
1 |
1 |
186 |
7.5 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
40 |
|
A |
1 |
1 |
8400 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
7969 |
3.8 |
0.1 |
0.797 |
0 |
0 |
0 |
0.000 |
41 |
|
[EDO]B:201 |
1 |
1 |
187 |
◊ |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
1 |
1 |
7659 |
2.7 |
0.1 |
0.853 |
0 |
0 |
0 |
0.000 |
42 |
|
[EDO]B:204 |
1 |
1 |
185 |
f |
C |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
7659 |
1.4 |
0.1 |
0.835 |
0 |
0 |
0 |
0.000 |
43 |
|
[EDO]B:201 |
2 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
7751 |
1.3 |
0.1 |
0.839 |
0 |
0 |
0 |
0.000 |
|