## |
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 |
179 |
44 |
12127 |
◊ |
A |
x,y,z |
1_555 |
182 |
45 |
12126 |
1634.5 |
-22.0 |
0.044 |
16 |
0 |
0 |
0.181 |
2 |
2 |
|
A |
171 |
43 |
12126 |
◊ |
A |
-x-1,-y,z |
4_455 |
170 |
43 |
12126 |
1623.6 |
-22.8 |
0.038 |
24 |
6 |
0 |
0.274 |
3 |
|
B |
168 |
42 |
12127 |
◊ |
B |
-x-1,-y,z |
4_455 |
164 |
42 |
12127 |
1589.3 |
-22.5 |
0.034 |
24 |
6 |
0 |
0.274 |
Average: |
1606.5 |
-22.6 |
0.036 |
24 |
6 |
0 |
0.274 |
3 |
4 |
|
B |
47 |
13 |
12127 |
◊ |
A |
x-y,x,z+1/3 |
6_555 |
48 |
17 |
12126 |
406.0 |
-1.1 |
0.577 |
2 |
0 |
0 |
0.000 |
4 |
5 |
|
A |
34 |
9 |
12126 |
◊ |
A |
-x-1,-y-1,z |
4_445 |
35 |
9 |
12126 |
288.0 |
-0.2 |
0.653 |
4 |
4 |
0 |
0.018 |
6 |
|
B |
35 |
10 |
12127 |
◊ |
B |
-x,-y,z |
4_555 |
35 |
10 |
12127 |
279.3 |
0.8 |
0.725 |
6 |
4 |
0 |
0.018 |
Average: |
283.6 |
0.3 |
0.689 |
5 |
4 |
0 |
0.018 |
5 |
7 |
|
B |
26 |
8 |
12127 |
◊ |
A |
-x-1,-y,z |
4_455 |
26 |
8 |
12126 |
192.2 |
-0.2 |
0.590 |
4 |
0 |
0 |
0.010 |
6 |
8 |
|
A |
26 |
11 |
12126 |
◊ |
A |
-x,-y,z |
4_555 |
26 |
11 |
12126 |
179.8 |
5.0 |
0.949 |
0 |
0 |
0 |
0.000 |
9 |
|
B |
23 |
11 |
12127 |
◊ |
B |
-x-1,-y-1,z |
4_445 |
22 |
11 |
12127 |
144.3 |
4.2 |
0.931 |
0 |
0 |
0 |
0.000 |
Average: |
162.1 |
4.6 |
0.940 |
0 |
0 |
0 |
0.000 |
7 |
10 |
|
[PGE]A:254 |
9 |
1 |
339 |
f |
A |
x,y,z |
1_555 |
26 |
11 |
12126 |
160.1 |
2.9 |
0.210 |
0 |
0 |
0 |
0.000 |
8 |
11 |
|
[PGE]B:260 |
10 |
1 |
328 |
f |
B |
x,y,z |
1_555 |
22 |
7 |
12127 |
127.1 |
2.8 |
0.180 |
1 |
0 |
0 |
0.000 |
9 |
12 |
|
[SO4]B:252 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
12127 |
114.2 |
-16.5 |
0.719 |
5 |
0 |
0 |
0.202 |
10 |
13 |
|
[SO4]A:252 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
12126 |
113.0 |
-16.0 |
0.819 |
5 |
0 |
0 |
0.291 |
11 |
14 |
|
[EDO]B:257 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
12127 |
97.6 |
2.6 |
0.398 |
1 |
0 |
0 |
0.000 |
12 |
15 |
|
[EDO]A:257 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
12126 |
97.5 |
2.6 |
0.395 |
1 |
0 |
0 |
0.000 |
13 |
16 |
|
[EDO]B:258 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
12127 |
94.0 |
2.4 |
0.273 |
6 |
0 |
0 |
0.003 |
14 |
17 |
|
[EDO]A:256 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
12126 |
93.6 |
2.3 |
0.265 |
6 |
0 |
0 |
0.006 |
15 |
18 |
|
[GOL]A:258 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
12126 |
88.4 |
0.7 |
0.673 |
2 |
0 |
0 |
0.003 |
16 |
19 |
|
[SO4]B:250 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
12127 |
77.9 |
-9.8 |
0.927 |
5 |
0 |
0 |
0.130 |
17 |
20 |
|
[SO4]A:250 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
12126 |
74.9 |
-10.6 |
0.806 |
2 |
0 |
0 |
0.183 |
18 |
21 |
|
[SO4]B:249 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
12127 |
73.6 |
-10.1 |
0.814 |
2 |
0 |
0 |
0.118 |
19 |
22 |
|
[SO4]B:250 |
5 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
12126 |
73.3 |
-8.9 |
0.937 |
5 |
0 |
0 |
0.069 |
20 |
23 |
|
[SO4]B:254 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
12127 |
72.3 |
-8.5 |
0.957 |
4 |
0 |
0 |
0.111 |
21 |
24 |
|
[SO4]A:253 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
12126 |
71.1 |
-8.2 |
0.952 |
4 |
0 |
0 |
0.159 |
22 |
25 |
|
[CL]B:261 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
12127 |
67.7 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.101 |
23 |
26 |
|
[SO4]B:251 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
12127 |
67.3 |
-9.1 |
0.749 |
2 |
0 |
0 |
0.108 |
24 |
27 |
|
[SO4]A:249 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
12126 |
66.6 |
-9.2 |
0.708 |
1 |
0 |
0 |
0.153 |
25 |
28 |
|
[SO4]B:255 |
5 |
1 |
185 |
f |
[SO4]B:255 |
-x,-y,z |
4_555 |
5 |
1 |
185 |
65.1 |
-13.7 |
0.993 |
0 |
0 |
0 |
0.100 |
26 |
29 |
|
[SO4]A:251 |
5 |
1 |
185 |
◊ |
A |
-x-1,-y-1,z |
4_445 |
9 |
4 |
12126 |
61.4 |
-7.2 |
0.777 |
2 |
0 |
0 |
0.116 |
27 |
30 |
|
[SO4]B:253 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
12127 |
61.0 |
-7.5 |
0.861 |
2 |
0 |
0 |
0.091 |
28 |
31 |
|
[SO4]A:251 |
5 |
1 |
185 |
f |
[SO4]A:251 |
-x-1,-y-1,z |
4_445 |
5 |
1 |
185 |
60.4 |
-12.4 |
0.993 |
0 |
0 |
0 |
0.100 |
29 |
32 |
|
[SO4]B:255 |
5 |
1 |
185 |
◊ |
B |
-x,-y,z |
4_555 |
7 |
4 |
12127 |
58.1 |
-7.4 |
0.582 |
2 |
0 |
0 |
0.081 |
30 |
33 |
|
[SO4]A:251 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
12126 |
57.6 |
-6.8 |
0.776 |
2 |
0 |
0 |
0.111 |
31 |
34 |
|
[SO4]B:255 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
12127 |
57.3 |
-7.2 |
0.595 |
1 |
0 |
0 |
0.075 |
32 |
35 |
|
[EDO]B:259 |
4 |
1 |
186 |
◊ |
B |
-x-1,-y,z |
4_455 |
12 |
6 |
12127 |
49.4 |
1.2 |
0.285 |
1 |
0 |
0 |
0.000 |
33 |
36 |
|
[EDO]B:259 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
12127 |
48.0 |
1.1 |
0.266 |
2 |
0 |
0 |
0.000 |
34 |
37 |
|
[EDO]B:256 |
4 |
1 |
184 |
◊ |
[EDO]B:256 |
-x-1,-y,z |
4_455 |
4 |
1 |
184 |
43.5 |
1.7 |
1.000 |
0 |
0 |
0 |
0.000 |
35 |
38 |
|
[EDO]B:256 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
12126 |
43.0 |
1.1 |
0.757 |
0 |
0 |
0 |
0.000 |
36 |
39 |
|
B |
4 |
1 |
12127 |
◊ |
A |
-x,-y,z |
4_555 |
7 |
3 |
12126 |
38.7 |
-0.2 |
0.523 |
0 |
0 |
0 |
0.000 |
40 |
|
B |
6 |
3 |
12127 |
◊ |
A |
-x-1,-y-1,z |
4_445 |
4 |
1 |
12126 |
38.1 |
-0.2 |
0.505 |
0 |
0 |
0 |
0.000 |
Average: |
38.4 |
-0.2 |
0.514 |
0 |
0 |
0 |
0.000 |
37 |
41 |
|
[EDO]A:255 |
4 |
1 |
185 |
◊ |
[EDO]A:255 |
-x-1,-y,z |
4_455 |
4 |
1 |
185 |
37.3 |
1.8 |
1.000 |
0 |
0 |
0 |
0.000 |
38 |
42 |
|
[EDO]A:255 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
12127 |
37.1 |
0.8 |
0.873 |
1 |
0 |
0 |
0.000 |
39 |
43 |
|
[EDO]A:257 |
4 |
1 |
185 |
f |
[EDO]A:256 |
x,y,z |
1_555 |
4 |
1 |
184 |
36.1 |
1.6 |
1.000 |
0 |
0 |
0 |
0.000 |
40 |
44 |
|
[EDO]B:258 |
4 |
1 |
183 |
f |
[EDO]B:257 |
x,y,z |
1_555 |
3 |
1 |
185 |
35.5 |
1.4 |
1.000 |
1 |
0 |
0 |
0.000 |
41 |
45 |
|
[EDO]B:256 |
4 |
1 |
184 |
◊ |
A |
-x-1,-y,z |
4_455 |
5 |
4 |
12126 |
34.6 |
1.0 |
0.908 |
1 |
0 |
0 |
0.000 |
42 |
46 |
|
[EDO]B:259 |
3 |
1 |
186 |
◊ |
[EDO]B:259 |
-x-1,-y,z |
4_455 |
3 |
1 |
186 |
33.4 |
1.2 |
1.000 |
0 |
0 |
0 |
0.000 |
43 |
47 |
|
[EDO]A:255 |
4 |
1 |
185 |
◊ |
B |
-x-1,-y,z |
4_455 |
9 |
4 |
12127 |
28.8 |
0.6 |
0.742 |
0 |
0 |
0 |
0.000 |
44 |
48 |
|
[EDO]B:256 |
3 |
1 |
184 |
◊ |
B |
-x-1,-y,z |
4_455 |
4 |
1 |
12127 |
27.8 |
0.7 |
0.710 |
1 |
0 |
0 |
0.000 |
45 |
49 |
|
[SO4]B:251 |
3 |
1 |
186 |
◊ |
B |
-x-1,-y-1,z |
4_445 |
4 |
3 |
12127 |
27.7 |
-2.6 |
0.946 |
1 |
0 |
0 |
0.000 |
46 |
50 |
|
[EDO]A:255 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
12126 |
26.7 |
0.7 |
0.795 |
0 |
0 |
0 |
0.000 |
47 |
51 |
|
[GOL]A:258 |
2 |
1 |
218 |
◊ |
A |
-x-1,-y-1,z |
4_445 |
3 |
1 |
12126 |
26.7 |
0.1 |
0.599 |
0 |
0 |
0 |
0.000 |
48 |
52 |
|
[EDO]B:256 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
4 |
1 |
12127 |
23.6 |
0.4 |
0.711 |
1 |
0 |
0 |
0.000 |
49 |
53 |
|
[SO4]A:250 |
4 |
1 |
185 |
◊ |
A |
-x,-y,z |
4_555 |
2 |
1 |
12126 |
21.7 |
-1.4 |
0.975 |
1 |
0 |
0 |
0.000 |
50 |
54 |
|
[EDO]B:257 |
2 |
1 |
185 |
f |
[SO4]B:251 |
x,y,z |
1_555 |
3 |
1 |
186 |
21.2 |
-2.3 |
0.996 |
1 |
0 |
0 |
0.029 |
51 |
55 |
|
A |
6 |
2 |
12126 |
◊ |
B |
-y,x-y,z-1/3 |
2_554 |
3 |
2 |
12127 |
21.1 |
0.4 |
0.768 |
0 |
0 |
0 |
0.000 |
52 |
56 |
|
[EDO]A:257 |
2 |
1 |
185 |
f |
[SO4]A:250 |
x,y,z |
1_555 |
4 |
1 |
185 |
19.4 |
-1.6 |
0.999 |
0 |
0 |
0 |
0.026 |
53 |
57 |
|
[EDO]A:255 |
3 |
1 |
185 |
f |
A |
-x-1,-y,z |
4_455 |
5 |
1 |
12126 |
19.3 |
0.3 |
0.754 |
1 |
0 |
0 |
0.003 |
54 |
58 |
|
[EDO]B:259 |
4 |
1 |
186 |
◊ |
[EDO]A:255 |
-x-1,-y,z |
4_455 |
3 |
1 |
185 |
16.7 |
0.7 |
1.000 |
0 |
0 |
0 |
0.000 |
55 |
59 |
|
[SO4]A:249 |
4 |
1 |
185 |
◊ |
A |
-x-1,-y,z |
4_455 |
3 |
2 |
12126 |
15.4 |
-1.0 |
0.940 |
0 |
0 |
0 |
0.016 |
56 |
60 |
|
[EDO]B:259 |
3 |
1 |
186 |
◊ |
[EDO]A:255 |
x,y,z |
1_555 |
4 |
1 |
185 |
14.2 |
0.6 |
1.000 |
1 |
0 |
0 |
0.000 |
57 |
61 |
|
[SO4]B:249 |
3 |
1 |
184 |
◊ |
B |
-x-1,-y,z |
4_455 |
1 |
1 |
12127 |
13.2 |
-0.8 |
0.976 |
0 |
0 |
0 |
0.009 |
58 |
62 |
|
[SO4]A:250 |
1 |
1 |
185 |
◊ |
[SO4]A:250 |
-x,-y,z |
4_555 |
1 |
1 |
185 |
12.3 |
-2.9 |
0.800 |
0 |
0 |
0 |
0.000 |
59 |
63 |
|
[GOL]A:258 |
1 |
1 |
218 |
f |
[SO4]A:253 |
x,y,z |
1_555 |
2 |
1 |
185 |
9.9 |
-1.1 |
0.693 |
0 |
0 |
0 |
0.017 |
60 |
64 |
|
[EDO]B:259 |
3 |
1 |
186 |
◊ |
A |
-x-1,-y,z |
4_455 |
1 |
1 |
12126 |
7.7 |
0.3 |
0.931 |
0 |
0 |
0 |
0.000 |
61 |
65 |
|
[SO4]B:251 |
1 |
1 |
186 |
◊ |
[SO4]B:251 |
-x-1,-y-1,z |
4_445 |
1 |
1 |
186 |
6.3 |
-1.5 |
0.800 |
0 |
0 |
0 |
0.000 |
62 |
66 |
|
[EDO]B:256 |
1 |
1 |
184 |
◊ |
[EDO]A:255 |
-x-1,-y,z |
4_455 |
3 |
1 |
185 |
4.5 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
63 |
67 |
|
[EDO]B:256 |
1 |
1 |
184 |
◊ |
[EDO]A:255 |
x,y,z |
1_555 |
3 |
1 |
185 |
4.5 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
64 |
68 |
|
[SO4]B:254 |
2 |
1 |
185 |
◊ |
B |
-x,-y,z |
4_555 |
1 |
1 |
12127 |
4.4 |
-0.3 |
0.934 |
0 |
0 |
0 |
0.003 |
65 |
69 |
|
[SO4]A:253 |
1 |
1 |
185 |
◊ |
A |
-x-1,-y-1,z |
4_445 |
2 |
1 |
12126 |
3.3 |
-0.3 |
0.862 |
0 |
0 |
0 |
0.005 |
66 |
70 |
|
[SO4]B:253 |
1 |
1 |
185 |
◊ |
[SO4]A:249 |
x-y,x,z+1/3 |
6_555 |
2 |
1 |
185 |
2.9 |
-0.7 |
1.000 |
0 |
0 |
0 |
0.000 |
67 |
71 |
|
[CL]B:261 |
1 |
1 |
125 |
f |
[EDO]B:258 |
x,y,z |
1_555 |
2 |
1 |
183 |
2.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
68 |
72 |
|
[EDO]B:259 |
2 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12126 |
1.3 |
0.0 |
0.859 |
0 |
0 |
0 |
0.000 |
69 |
73 |
|
[SO4]B:253 |
1 |
1 |
185 |
◊ |
A |
x-y,x,z+1/3 |
6_555 |
1 |
1 |
12126 |
0.6 |
-0.0 |
0.857 |
0 |
0 |
0 |
0.000 |
|