## |
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 |
|
D |
302 |
76 |
31382 |
◊ |
A |
x,y,z |
1_555 |
303 |
79 |
31603 |
2889.6 |
-21.8 |
0.133 |
39 |
17 |
0 |
0.353 |
2 |
|
C |
299 |
76 |
31359 |
◊ |
B |
x,y,z |
1_555 |
305 |
77 |
31606 |
2877.0 |
-23.3 |
0.090 |
41 |
19 |
0 |
0.353 |
Average: |
2883.3 |
-22.6 |
0.112 |
40 |
18 |
0 |
0.353 |
2 |
3 |
|
D |
206 |
60 |
31382 |
◊ |
C |
x,y,z |
1_555 |
200 |
60 |
31359 |
2038.3 |
-26.1 |
0.007 |
24 |
3 |
0 |
0.354 |
4 |
|
B |
199 |
60 |
31606 |
◊ |
A |
x,y,z |
1_555 |
205 |
58 |
31603 |
2027.9 |
-25.5 |
0.008 |
24 |
0 |
0 |
0.354 |
Average: |
2033.1 |
-25.8 |
0.007 |
24 |
2 |
0 |
0.354 |
3 |
5 |
|
A |
57 |
22 |
31603 |
◊ |
C |
x,y-1,z |
1_545 |
54 |
22 |
31359 |
500.5 |
0.3 |
0.725 |
6 |
1 |
0 |
0.018 |
4 |
6 |
|
B |
43 |
16 |
31606 |
◊ |
C |
x-1,y,z |
1_455 |
40 |
14 |
31359 |
346.0 |
0.9 |
0.760 |
4 |
0 |
0 |
0.000 |
5 |
7 |
|
D |
32 |
10 |
31382 |
◊ |
A |
x-1,y,z |
1_455 |
31 |
8 |
31603 |
257.0 |
0.2 |
0.692 |
3 |
1 |
0 |
0.000 |
6 |
8 |
|
C |
30 |
11 |
31359 |
◊ |
A |
x,y,z |
1_555 |
27 |
10 |
31603 |
246.0 |
-1.9 |
0.398 |
2 |
0 |
0 |
0.017 |
9 |
|
D |
28 |
10 |
31382 |
◊ |
B |
x,y,z |
1_555 |
26 |
12 |
31606 |
245.3 |
-1.8 |
0.386 |
2 |
0 |
0 |
0.017 |
Average: |
245.6 |
-1.8 |
0.392 |
2 |
0 |
0 |
0.017 |
7 |
10 |
|
A |
26 |
9 |
31603 |
x |
A |
-x+1,y-1/2,-z+3 |
2_648 |
26 |
7 |
31603 |
219.8 |
-1.8 |
0.322 |
2 |
0 |
0 |
0.000 |
11 |
|
C |
23 |
5 |
31359 |
x |
C |
-x+1,y-1/2,-z+2 |
2_647 |
20 |
8 |
31359 |
179.9 |
-2.8 |
0.154 |
2 |
0 |
0 |
0.000 |
Average: |
199.9 |
-2.3 |
0.238 |
2 |
0 |
0 |
0.000 |
8 |
12 |
|
[PGE]B:904 |
10 |
1 |
332 |
f |
B |
x,y,z |
1_555 |
29 |
8 |
31606 |
190.1 |
6.3 |
0.419 |
2 |
0 |
0 |
0.000 |
9 |
13 |
|
[PGE]B:905 |
10 |
1 |
336 |
f |
B |
x,y,z |
1_555 |
24 |
9 |
31606 |
172.4 |
5.4 |
0.353 |
1 |
0 |
0 |
0.000 |
10 |
14 |
|
[PGE]D:903 |
10 |
1 |
336 |
◊ |
D |
x,y,z |
1_555 |
23 |
8 |
31382 |
170.0 |
5.1 |
0.336 |
2 |
0 |
0 |
0.000 |
11 |
15 |
|
[PEG]A:905 |
7 |
1 |
258 |
f |
A |
x,y,z |
1_555 |
28 |
9 |
31603 |
159.9 |
4.2 |
0.488 |
0 |
0 |
0 |
0.000 |
12 |
16 |
|
A |
15 |
7 |
31603 |
◊ |
D |
x,y-1,z |
1_545 |
20 |
7 |
31382 |
130.2 |
0.4 |
0.692 |
1 |
2 |
0 |
0.003 |
17 |
|
B |
13 |
4 |
31606 |
◊ |
C |
x,y-1,z |
1_545 |
13 |
5 |
31359 |
110.7 |
-0.1 |
0.575 |
0 |
1 |
0 |
0.003 |
Average: |
120.5 |
0.1 |
0.633 |
1 |
2 |
0 |
0.003 |
13 |
18 |
|
B |
19 |
5 |
31606 |
x |
B |
-x,y-1/2,-z+2 |
2_547 |
17 |
7 |
31606 |
124.6 |
-0.0 |
0.627 |
1 |
0 |
0 |
0.000 |
14 |
19 |
|
[SO4]A:904 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
31603 |
114.7 |
-16.2 |
0.778 |
3 |
0 |
0 |
0.172 |
15 |
20 |
|
[SO4]C:905 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
31359 |
92.4 |
-13.8 |
0.637 |
2 |
0 |
0 |
0.127 |
16 |
21 |
|
[SO4]D:902 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
31603 |
82.6 |
-10.3 |
0.714 |
1 |
0 |
0 |
0.105 |
17 |
22 |
|
[SO4]B:903 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
31606 |
76.4 |
-11.0 |
0.794 |
4 |
0 |
0 |
0.126 |
18 |
23 |
|
[SO4]C:902 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
31359 |
70.8 |
-10.1 |
0.824 |
2 |
0 |
0 |
0.095 |
19 |
24 |
|
[SO4]A:903 |
5 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
31382 |
70.3 |
-8.3 |
0.775 |
1 |
0 |
0 |
0.073 |
20 |
25 |
|
[SO4]C:904 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
31359 |
69.7 |
-8.5 |
0.823 |
0 |
0 |
0 |
0.074 |
21 |
26 |
|
[SO4]A:903 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
31603 |
69.0 |
-10.2 |
0.762 |
2 |
0 |
0 |
0.109 |
22 |
27 |
|
[SO4]D:902 |
5 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
31382 |
67.4 |
-9.9 |
0.784 |
1 |
0 |
0 |
0.086 |
23 |
28 |
|
B |
7 |
3 |
31606 |
◊ |
C |
-x+1,y-1/2,-z+2 |
2_647 |
6 |
3 |
31359 |
60.8 |
1.2 |
0.788 |
1 |
0 |
0 |
0.000 |
29 |
|
A |
5 |
2 |
31603 |
◊ |
D |
-x+1,y-1/2,-z+3 |
2_648 |
7 |
3 |
31382 |
59.3 |
1.1 |
0.818 |
1 |
0 |
0 |
0.000 |
Average: |
60.1 |
1.1 |
0.803 |
1 |
0 |
0 |
0.000 |
24 |
30 |
|
[SO4]A:902 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
31603 |
59.6 |
-8.2 |
0.474 |
1 |
0 |
0 |
0.085 |
25 |
31 |
|
[SO4]B:902 |
5 |
1 |
185 |
f |
C |
x,y-1,z |
1_545 |
7 |
4 |
31359 |
56.8 |
-7.7 |
0.499 |
1 |
0 |
0 |
0.070 |
26 |
32 |
|
[SO4]C:903 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
31359 |
55.9 |
-6.2 |
0.950 |
1 |
0 |
0 |
0.058 |
27 |
33 |
|
A |
6 |
3 |
31603 |
◊ |
[SO4]C:904 |
x,y-1,z |
1_545 |
4 |
1 |
185 |
52.5 |
-5.9 |
0.931 |
1 |
0 |
0 |
0.045 |
28 |
34 |
|
A |
10 |
4 |
31603 |
◊ |
[SO4]C:903 |
x,y-1,z |
1_545 |
4 |
1 |
185 |
51.1 |
-6.5 |
0.720 |
0 |
0 |
0 |
0.047 |
29 |
35 |
|
[MG]D:901 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
6 |
31382 |
50.4 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.189 |
36 |
|
[MG]A:901 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
6 |
31603 |
49.8 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.189 |
37 |
|
[MG]B:901 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
5 |
31606 |
49.8 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.189 |
38 |
|
[MG]C:901 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
5 |
31359 |
49.6 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.189 |
Average: |
49.9 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.189 |
30 |
39 |
|
[SO4]B:902 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
31606 |
47.4 |
-5.0 |
0.913 |
1 |
0 |
0 |
0.022 |
31 |
40 |
|
[SO4]C:904 |
4 |
1 |
185 |
f |
[SO4]C:903 |
x,y,z |
1_555 |
4 |
1 |
185 |
46.2 |
-10.4 |
0.998 |
0 |
0 |
0 |
0.090 |
32 |
41 |
|
[SO4]A:902 |
3 |
1 |
186 |
◊ |
D |
x,y-1,z |
1_545 |
8 |
3 |
31382 |
41.1 |
-4.8 |
0.901 |
1 |
0 |
0 |
0.021 |
33 |
42 |
|
[SO4]A:904 |
3 |
1 |
185 |
◊ |
C |
x,y-1,z |
1_545 |
3 |
1 |
31359 |
13.8 |
-1.5 |
0.854 |
0 |
0 |
0 |
0.011 |
34 |
43 |
|
[PGE]B:905 |
1 |
1 |
336 |
f |
[SO4]B:903 |
x,y,z |
1_555 |
1 |
1 |
184 |
2.9 |
-0.2 |
0.548 |
0 |
0 |
0 |
0.002 |
35 |
44 |
|
[PGE]B:905 |
1 |
1 |
336 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
31359 |
1.1 |
0.1 |
0.463 |
0 |
0 |
0 |
0.000 |
36 |
45 |
|
[PGE]D:903 |
1 |
1 |
336 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
31603 |
0.4 |
0.0 |
0.361 |
0 |
0 |
0 |
0.000 |
|