## |
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 |
|
F |
161 |
41 |
7789 |
◊ |
E |
x,y,z |
1_555 |
158 |
42 |
7946 |
1752.4 |
-36.2 |
0.025 |
5 |
4 |
1 |
0.726 |
2 |
2 |
|
D |
164 |
42 |
7902 |
◊ |
C |
x,y,z |
1_555 |
158 |
41 |
8063 |
1736.9 |
-38.5 |
0.018 |
8 |
7 |
1 |
0.835 |
3 |
3 |
|
B |
149 |
41 |
7866 |
◊ |
A |
x,y,z |
1_555 |
159 |
42 |
7933 |
1657.6 |
-36.1 |
0.024 |
8 |
6 |
1 |
1.000 |
4 |
|
H |
154 |
41 |
7761 |
◊ |
G |
x,y,z |
1_555 |
154 |
40 |
7856 |
1617.5 |
-35.0 |
0.026 |
7 |
6 |
0 |
1.000 |
Average: |
1637.5 |
-35.5 |
0.025 |
8 |
6 |
1 |
1.000 |
4 |
5 |
|
H |
98 |
26 |
7761 |
◊ |
F |
x,y,z |
1_555 |
112 |
27 |
7789 |
1033.7 |
-12.0 |
0.409 |
6 |
4 |
0 |
0.133 |
6 |
|
D |
106 |
27 |
7902 |
◊ |
B |
x,y,z |
1_555 |
97 |
25 |
7866 |
996.7 |
-13.3 |
0.351 |
6 |
2 |
0 |
0.133 |
Average: |
1015.2 |
-12.6 |
0.380 |
6 |
3 |
0 |
0.133 |
5 |
7 |
|
G |
51 |
17 |
7856 |
◊ |
E |
x,y,z-1 |
1_554 |
57 |
17 |
7946 |
537.4 |
2.7 |
0.866 |
8 |
7 |
0 |
0.019 |
8 |
|
C |
57 |
14 |
8063 |
◊ |
A |
x,y,z-1 |
1_554 |
59 |
15 |
7933 |
529.3 |
0.8 |
0.844 |
8 |
6 |
0 |
0.019 |
Average: |
533.4 |
1.8 |
0.855 |
8 |
7 |
0 |
0.019 |
6 |
9 |
|
C |
43 |
11 |
8063 |
◊ |
E |
-x-1,y-1/2,-z-1 |
2_444 |
49 |
11 |
7946 |
411.3 |
-3.9 |
0.606 |
2 |
1 |
0 |
0.000 |
7 |
10 |
|
G |
47 |
12 |
7856 |
◊ |
A |
x,y,z-1 |
1_554 |
32 |
11 |
7933 |
367.4 |
-6.5 |
0.316 |
1 |
0 |
0 |
0.000 |
11 |
|
A |
50 |
12 |
7933 |
◊ |
G |
x-1,y,z+1 |
1_456 |
28 |
11 |
7856 |
364.8 |
-5.9 |
0.344 |
1 |
0 |
0 |
0.000 |
Average: |
366.1 |
-6.2 |
0.330 |
1 |
0 |
0 |
0.000 |
8 |
12 |
|
D |
38 |
11 |
7902 |
◊ |
E |
x,y,z |
1_555 |
42 |
14 |
7946 |
359.9 |
-3.5 |
0.480 |
0 |
1 |
0 |
0.000 |
9 |
13 |
|
C |
25 |
11 |
8063 |
◊ |
F |
x-1,y,z |
1_455 |
38 |
10 |
7789 |
336.1 |
-2.9 |
0.492 |
0 |
0 |
0 |
0.000 |
10 |
14 |
|
H |
30 |
11 |
7761 |
◊ |
E |
x,y,z |
1_555 |
26 |
7 |
7946 |
298.7 |
-4.2 |
0.275 |
2 |
1 |
0 |
0.048 |
15 |
|
B |
33 |
12 |
7866 |
◊ |
C |
x,y,z |
1_555 |
30 |
7 |
8063 |
297.8 |
-4.6 |
0.351 |
2 |
2 |
0 |
0.048 |
Average: |
298.3 |
-4.4 |
0.313 |
2 |
2 |
0 |
0.048 |
11 |
16 |
|
D |
30 |
9 |
7902 |
◊ |
A |
x,y,z |
1_555 |
32 |
8 |
7933 |
288.0 |
-2.7 |
0.467 |
2 |
2 |
0 |
0.042 |
17 |
|
F |
32 |
9 |
7789 |
◊ |
G |
x,y,z |
1_555 |
26 |
8 |
7856 |
282.4 |
-3.9 |
0.359 |
2 |
2 |
0 |
0.042 |
Average: |
285.2 |
-3.3 |
0.413 |
2 |
2 |
0 |
0.042 |
12 |
18 |
|
F |
25 |
5 |
7789 |
◊ |
A |
x,y,z-1 |
1_554 |
24 |
6 |
7933 |
247.6 |
-1.1 |
0.631 |
4 |
6 |
0 |
0.000 |
19 |
|
D |
23 |
6 |
7902 |
◊ |
G |
x-1,y,z+1 |
1_456 |
26 |
7 |
7856 |
241.9 |
1.1 |
0.802 |
3 |
3 |
0 |
0.000 |
Average: |
244.7 |
0.0 |
0.717 |
4 |
5 |
0 |
0.000 |
13 |
20 |
|
A |
24 |
6 |
7933 |
◊ |
H |
x-1,y,z+1 |
1_456 |
24 |
7 |
7761 |
228.4 |
-3.4 |
0.306 |
2 |
0 |
0 |
0.000 |
21 |
|
G |
26 |
6 |
7856 |
◊ |
B |
x,y,z-1 |
1_554 |
24 |
6 |
7866 |
223.6 |
-3.8 |
0.323 |
1 |
0 |
0 |
0.000 |
Average: |
226.0 |
-3.6 |
0.314 |
2 |
0 |
0 |
0.000 |
14 |
22 |
|
F |
21 |
6 |
7789 |
◊ |
D |
x,y,z |
1_555 |
26 |
6 |
7902 |
226.0 |
-4.1 |
0.250 |
1 |
2 |
0 |
0.000 |
23 |
|
D |
23 |
6 |
7902 |
◊ |
F |
x-1,y,z |
1_455 |
25 |
5 |
7789 |
221.3 |
-2.4 |
0.384 |
2 |
2 |
0 |
0.000 |
Average: |
223.6 |
-3.2 |
0.317 |
2 |
2 |
0 |
0.000 |
15 |
24 |
|
D |
17 |
4 |
7902 |
◊ |
E |
x-1,y,z |
1_455 |
16 |
6 |
7946 |
138.5 |
-0.2 |
0.660 |
1 |
0 |
0 |
0.000 |
25 |
|
F |
14 |
4 |
7789 |
◊ |
C |
x,y,z |
1_555 |
16 |
4 |
8063 |
130.5 |
-0.8 |
0.617 |
0 |
0 |
0 |
0.000 |
Average: |
134.5 |
-0.5 |
0.639 |
1 |
0 |
0 |
0.000 |
16 |
26 |
|
A |
12 |
3 |
7933 |
◊ |
F |
x-1,y,z+1 |
1_456 |
17 |
4 |
7789 |
130.8 |
-0.3 |
0.643 |
0 |
0 |
0 |
0.000 |
27 |
|
G |
10 |
2 |
7856 |
◊ |
D |
x,y,z-1 |
1_554 |
16 |
4 |
7902 |
115.8 |
-1.3 |
0.491 |
0 |
0 |
0 |
0.000 |
Average: |
123.3 |
-0.8 |
0.567 |
0 |
0 |
0 |
0.000 |
17 |
28 |
|
[PGE]B:902 |
9 |
1 |
334 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
7866 |
116.5 |
4.4 |
0.306 |
2 |
0 |
0 |
0.000 |
18 |
29 |
|
C |
18 |
5 |
8063 |
◊ |
G |
x-1,y,z |
1_455 |
12 |
5 |
7856 |
110.0 |
-0.3 |
0.704 |
0 |
1 |
0 |
0.000 |
30 |
|
E |
16 |
4 |
7946 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
7933 |
84.1 |
0.0 |
0.704 |
1 |
1 |
0 |
0.000 |
Average: |
97.1 |
-0.1 |
0.704 |
1 |
1 |
0 |
0.000 |
19 |
31 |
|
[PGE]E:901 |
10 |
1 |
330 |
f |
E |
x,y,z |
1_555 |
16 |
4 |
7946 |
108.3 |
1.2 |
0.082 |
6 |
0 |
0 |
0.100 |
20 |
32 |
|
C |
10 |
3 |
8063 |
◊ |
H |
-x-1,y-1/2,-z-2 |
2_443 |
10 |
4 |
7761 |
101.0 |
1.7 |
0.836 |
2 |
2 |
0 |
0.000 |
21 |
33 |
|
B |
10 |
3 |
7866 |
◊ |
H |
-x-1,y-1/2,-z-1 |
2_444 |
13 |
5 |
7761 |
99.9 |
-0.5 |
0.589 |
0 |
0 |
0 |
0.000 |
22 |
34 |
|
C |
14 |
6 |
8063 |
◊ |
F |
-x-1,y-1/2,-z-1 |
2_444 |
10 |
5 |
7789 |
99.1 |
2.0 |
0.872 |
2 |
1 |
0 |
0.000 |
23 |
35 |
|
H |
9 |
3 |
7761 |
◊ |
A |
x,y,z-1 |
1_554 |
10 |
5 |
7933 |
98.2 |
2.2 |
0.864 |
1 |
2 |
0 |
0.000 |
36 |
|
B |
9 |
3 |
7866 |
◊ |
G |
x-1,y,z+1 |
1_456 |
11 |
4 |
7856 |
96.3 |
2.9 |
0.927 |
1 |
2 |
0 |
0.000 |
Average: |
97.2 |
2.5 |
0.895 |
1 |
2 |
0 |
0.000 |
24 |
37 |
|
B |
10 |
3 |
7866 |
◊ |
E |
-x-1,y-1/2,-z-1 |
2_444 |
11 |
4 |
7946 |
91.5 |
0.4 |
0.706 |
1 |
1 |
0 |
0.000 |
25 |
38 |
|
[SO4]B:901 |
5 |
1 |
185 |
f |
F |
x-1,y,z |
1_455 |
11 |
3 |
7789 |
79.9 |
-12.1 |
0.777 |
3 |
0 |
0 |
0.226 |
26 |
39 |
|
D |
10 |
5 |
7902 |
◊ |
E |
-x-1,y-1/2,-z-1 |
2_444 |
9 |
4 |
7946 |
79.6 |
-0.0 |
0.665 |
0 |
0 |
0 |
0.000 |
27 |
40 |
|
B |
9 |
4 |
7866 |
◊ |
F |
x-1,y,z |
1_455 |
6 |
2 |
7789 |
78.7 |
1.7 |
0.825 |
3 |
0 |
0 |
0.000 |
41 |
|
H |
10 |
4 |
7761 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
7902 |
70.0 |
1.9 |
0.855 |
4 |
0 |
0 |
0.000 |
Average: |
74.4 |
1.8 |
0.840 |
4 |
0 |
0 |
0.000 |
28 |
42 |
|
[ACT]B:903 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
16 |
3 |
7866 |
76.0 |
-0.9 |
0.615 |
0 |
0 |
0 |
0.023 |
29 |
43 |
|
[ACT]B:903 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
11 |
3 |
7902 |
73.9 |
-0.3 |
0.693 |
0 |
0 |
0 |
0.002 |
30 |
44 |
|
B |
8 |
3 |
7866 |
◊ |
H |
x-1,y,z+1 |
1_456 |
6 |
2 |
7761 |
65.1 |
0.3 |
0.717 |
2 |
2 |
0 |
0.000 |
45 |
|
H |
9 |
3 |
7761 |
◊ |
B |
x,y,z-1 |
1_554 |
6 |
2 |
7866 |
64.3 |
0.7 |
0.742 |
2 |
2 |
0 |
0.000 |
Average: |
64.7 |
0.5 |
0.729 |
2 |
2 |
0 |
0.000 |
31 |
46 |
|
[CL]D:901 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
3 |
7902 |
60.5 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.139 |
32 |
47 |
|
B |
10 |
4 |
7866 |
◊ |
F |
-x-1,y-1/2,-z-1 |
2_444 |
7 |
2 |
7789 |
51.5 |
0.4 |
0.705 |
0 |
0 |
0 |
0.000 |
33 |
48 |
|
D |
3 |
1 |
7902 |
◊ |
H |
-x-1,y-1/2,-z-1 |
2_444 |
7 |
2 |
7761 |
49.4 |
1.5 |
0.827 |
2 |
0 |
0 |
0.000 |
34 |
49 |
|
[PGE]B:902 |
5 |
1 |
334 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
7933 |
46.9 |
1.1 |
0.200 |
0 |
0 |
0 |
0.000 |
35 |
50 |
|
[PGE]B:902 |
4 |
1 |
334 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
7902 |
41.1 |
0.9 |
0.274 |
0 |
0 |
0 |
0.000 |
36 |
51 |
|
H |
2 |
2 |
7761 |
◊ |
[PGE]E:901 |
x,y,z-1 |
1_554 |
3 |
1 |
330 |
36.1 |
0.5 |
0.233 |
0 |
0 |
0 |
0.000 |
37 |
52 |
|
G |
5 |
1 |
7856 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
4 |
4 |
7866 |
33.0 |
1.1 |
0.855 |
0 |
0 |
0 |
0.000 |
38 |
53 |
|
H |
4 |
2 |
7761 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
5 |
3 |
7866 |
32.0 |
1.1 |
0.843 |
1 |
1 |
0 |
0.000 |
39 |
54 |
|
C |
4 |
2 |
8063 |
◊ |
B |
x,y,z-1 |
1_554 |
2 |
2 |
7866 |
29.9 |
0.9 |
0.859 |
0 |
0 |
0 |
0.000 |
55 |
|
H |
1 |
1 |
7761 |
◊ |
E |
x,y,z-1 |
1_554 |
1 |
1 |
7946 |
5.1 |
-0.0 |
0.600 |
0 |
0 |
0 |
0.000 |
Average: |
17.5 |
0.4 |
0.729 |
0 |
0 |
0 |
0.000 |
40 |
56 |
|
D |
5 |
3 |
7902 |
◊ |
F |
-x-1,y-1/2,-z-1 |
2_444 |
5 |
3 |
7789 |
29.1 |
1.1 |
0.824 |
0 |
0 |
0 |
0.000 |
41 |
57 |
|
E |
4 |
3 |
7946 |
◊ |
C |
-x-1,y-1/2,-z-1 |
2_444 |
2 |
1 |
8063 |
26.1 |
-0.4 |
0.543 |
0 |
0 |
0 |
0.000 |
42 |
58 |
|
C |
2 |
1 |
8063 |
◊ |
F |
-x-1,y-1/2,-z-2 |
2_443 |
3 |
1 |
7789 |
24.5 |
0.9 |
0.857 |
0 |
0 |
0 |
0.000 |
43 |
59 |
|
G |
3 |
1 |
7856 |
◊ |
E |
x,y,z |
1_555 |
2 |
2 |
7946 |
21.6 |
0.1 |
0.680 |
0 |
0 |
0 |
0.000 |
60 |
|
C |
4 |
2 |
8063 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
7933 |
9.5 |
0.1 |
0.707 |
0 |
0 |
0 |
0.000 |
Average: |
15.5 |
0.1 |
0.693 |
0 |
0 |
0 |
0.000 |
44 |
61 |
|
[CL]D:901 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
8063 |
15.0 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.025 |
45 |
62 |
|
[SO4]B:901 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
7866 |
14.1 |
-1.5 |
0.830 |
0 |
0 |
0 |
0.000 |
46 |
63 |
|
[SO4]B:901 |
3 |
1 |
185 |
◊ |
E |
x-1,y,z |
1_455 |
3 |
1 |
7946 |
12.6 |
-1.4 |
0.856 |
0 |
0 |
0 |
0.023 |
47 |
64 |
|
[CL]D:901 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
7946 |
11.6 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
48 |
65 |
|
C |
1 |
1 |
8063 |
◊ |
[PGE]E:901 |
-x-1,y-1/2,-z-1 |
2_444 |
3 |
1 |
330 |
9.5 |
0.5 |
0.308 |
0 |
0 |
0 |
0.000 |
49 |
66 |
|
[SO4]B:901 |
1 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
8063 |
8.2 |
-1.1 |
0.673 |
0 |
0 |
0 |
0.000 |
50 |
67 |
|
[SO4]B:901 |
3 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
7902 |
8.0 |
-0.8 |
0.853 |
0 |
0 |
0 |
0.000 |
51 |
68 |
|
[ACT]B:903 |
1 |
1 |
183 |
f |
[PGE]B:902 |
x,y,z |
1_555 |
2 |
1 |
334 |
6.9 |
0.3 |
0.292 |
0 |
0 |
0 |
0.000 |
52 |
69 |
|
[CL]D:901 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
7761 |
6.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
53 |
70 |
|
D |
1 |
1 |
7902 |
◊ |
H |
-x-1,y-1/2,-z-2 |
2_443 |
1 |
1 |
7761 |
3.9 |
0.2 |
0.823 |
0 |
0 |
0 |
0.000 |
|