## |
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 |
|
N |
218 |
59 |
8358 |
◊ |
F |
x,y,z |
1_555 |
233 |
74 |
24583 |
2241.0 |
-15.9 |
0.220 |
35 |
18 |
0 |
0.290 |
2 |
|
L |
224 |
56 |
8872 |
◊ |
D |
x,y,z |
1_555 |
235 |
71 |
24686 |
2197.5 |
-15.1 |
0.239 |
34 |
19 |
0 |
0.290 |
3 |
|
G |
214 |
57 |
8763 |
◊ |
A |
x,y,z |
1_555 |
238 |
76 |
24624 |
2172.9 |
-15.6 |
0.241 |
27 |
16 |
0 |
0.290 |
4 |
|
H |
211 |
58 |
7638 |
◊ |
B |
x,y,z |
1_555 |
233 |
71 |
24709 |
2167.0 |
-14.8 |
0.241 |
33 |
17 |
0 |
0.290 |
5 |
|
M |
223 |
56 |
8950 |
◊ |
E |
x,y,z |
1_555 |
227 |
73 |
24637 |
2159.8 |
-14.8 |
0.219 |
33 |
18 |
0 |
0.290 |
6 |
|
K |
200 |
54 |
7908 |
◊ |
C |
x,y,z |
1_555 |
215 |
70 |
22524 |
2019.5 |
-14.2 |
0.303 |
28 |
17 |
0 |
0.290 |
Average: |
2159.6 |
-15.1 |
0.244 |
32 |
18 |
0 |
0.290 |
2 |
7 |
|
B |
62 |
20 |
24709 |
◊ |
A |
x,y,z |
1_555 |
61 |
20 |
24624 |
560.4 |
-1.9 |
0.570 |
9 |
0 |
0 |
0.000 |
8 |
|
C |
58 |
18 |
22524 |
◊ |
B |
x,y,z |
1_555 |
60 |
20 |
24709 |
557.4 |
-1.8 |
0.594 |
9 |
0 |
0 |
0.000 |
9 |
|
E |
59 |
17 |
24637 |
◊ |
D |
x,y,z |
1_555 |
57 |
18 |
24686 |
546.9 |
-2.3 |
0.511 |
8 |
0 |
0 |
0.000 |
10 |
|
F |
59 |
20 |
24583 |
◊ |
D |
x,y,z |
1_555 |
60 |
19 |
24686 |
545.6 |
-1.6 |
0.616 |
8 |
0 |
0 |
0.000 |
11 |
|
C |
64 |
20 |
22524 |
◊ |
A |
x,y,z |
1_555 |
59 |
20 |
24624 |
535.1 |
-2.2 |
0.585 |
9 |
0 |
0 |
0.000 |
12 |
|
F |
56 |
17 |
24583 |
◊ |
E |
x,y,z |
1_555 |
59 |
19 |
24637 |
530.7 |
-1.7 |
0.596 |
9 |
0 |
0 |
0.000 |
Average: |
546.0 |
-1.9 |
0.579 |
9 |
0 |
0 |
0.000 |
3 |
13 |
|
E |
57 |
18 |
24637 |
◊ |
B |
x-1,y,z |
1_455 |
57 |
19 |
24709 |
520.9 |
-6.1 |
0.184 |
4 |
0 |
0 |
0.000 |
4 |
14 |
|
D |
42 |
13 |
24686 |
◊ |
C |
x,y,z |
1_555 |
42 |
13 |
22524 |
358.9 |
-6.6 |
0.116 |
2 |
0 |
0 |
0.000 |
15 |
|
F |
42 |
13 |
24583 |
◊ |
A |
x,y,z |
1_555 |
42 |
13 |
24624 |
358.6 |
-6.9 |
0.094 |
2 |
0 |
0 |
0.000 |
16 |
|
E |
41 |
12 |
24637 |
◊ |
B |
x,y,z |
1_555 |
41 |
12 |
24709 |
352.3 |
-6.7 |
0.087 |
2 |
0 |
0 |
0.000 |
Average: |
356.6 |
-6.7 |
0.099 |
2 |
0 |
0 |
0.000 |
5 |
17 |
|
D |
35 |
12 |
24686 |
◊ |
A |
x,y,z |
1_555 |
33 |
13 |
24624 |
344.5 |
-5.3 |
0.131 |
2 |
0 |
0 |
0.000 |
18 |
|
E |
33 |
13 |
24637 |
◊ |
C |
x,y,z |
1_555 |
34 |
13 |
22524 |
339.8 |
-5.0 |
0.156 |
2 |
0 |
0 |
0.000 |
19 |
|
F |
33 |
13 |
24583 |
◊ |
B |
x,y,z |
1_555 |
33 |
13 |
24709 |
329.3 |
-5.0 |
0.148 |
2 |
0 |
0 |
0.000 |
Average: |
337.9 |
-5.1 |
0.145 |
2 |
0 |
0 |
0.000 |
6 |
20 |
|
D |
30 |
10 |
24686 |
◊ |
E |
x,y-1,z |
1_545 |
37 |
13 |
24637 |
294.3 |
0.1 |
0.685 |
2 |
0 |
0 |
0.000 |
7 |
21 |
|
D |
31 |
10 |
24686 |
◊ |
B |
x-1,y-1,z-1 |
1_444 |
35 |
10 |
24709 |
290.9 |
-3.1 |
0.281 |
2 |
0 |
0 |
0.000 |
8 |
22 |
|
C |
21 |
7 |
22524 |
◊ |
A |
x,y,z-1 |
1_554 |
23 |
8 |
24624 |
193.1 |
-1.2 |
0.474 |
2 |
0 |
0 |
0.000 |
9 |
23 |
|
D |
21 |
7 |
24686 |
◊ |
B |
x-1,y-1,z |
1_445 |
24 |
8 |
24709 |
191.0 |
-1.2 |
0.457 |
3 |
0 |
0 |
0.000 |
10 |
24 |
|
L |
16 |
5 |
8872 |
◊ |
E |
x,y-1,z |
1_545 |
18 |
6 |
24637 |
164.5 |
1.2 |
0.751 |
3 |
0 |
0 |
0.000 |
11 |
25 |
|
F |
13 |
7 |
24583 |
◊ |
A |
x-1,y,z |
1_455 |
11 |
5 |
24624 |
128.7 |
-1.0 |
0.413 |
2 |
0 |
0 |
0.000 |
12 |
26 |
|
D |
13 |
4 |
24686 |
◊ |
A |
x-1,y,z-1 |
1_454 |
13 |
6 |
24624 |
122.7 |
-1.7 |
0.306 |
1 |
0 |
0 |
0.000 |
13 |
27 |
|
A |
13 |
4 |
24624 |
◊ |
E |
x,y-1,z |
1_545 |
18 |
7 |
24637 |
114.9 |
1.4 |
0.834 |
1 |
0 |
0 |
0.000 |
14 |
28 |
|
[SO4]A:604 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
24624 |
98.6 |
-13.2 |
0.839 |
2 |
0 |
0 |
0.114 |
15 |
29 |
|
[SO4]E:602 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
12 |
5 |
24637 |
93.0 |
-13.1 |
0.816 |
4 |
0 |
0 |
0.115 |
16 |
30 |
|
[SO4]D:602 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
24686 |
91.6 |
-12.5 |
0.845 |
4 |
0 |
0 |
0.125 |
17 |
31 |
|
[SO4]B:604 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
24709 |
87.8 |
-12.7 |
0.776 |
3 |
0 |
0 |
0.120 |
18 |
32 |
|
[SO4]M:202 |
5 |
1 |
186 |
f |
M |
x,y,z |
1_555 |
15 |
5 |
8950 |
87.1 |
-12.9 |
0.652 |
2 |
0 |
0 |
0.107 |
19 |
33 |
|
[SO4]G:201 |
5 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
15 |
5 |
8763 |
83.9 |
-13.2 |
0.646 |
4 |
0 |
0 |
0.121 |
20 |
34 |
|
[SO4]E:603 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
13 |
8 |
24637 |
82.7 |
-10.8 |
0.810 |
3 |
0 |
0 |
0.093 |
21 |
35 |
|
[SO4]L:202 |
5 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
14 |
5 |
8872 |
82.0 |
-12.5 |
0.582 |
3 |
0 |
0 |
0.122 |
22 |
36 |
|
[SO4]C:603 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
22524 |
81.6 |
-12.2 |
0.819 |
1 |
0 |
0 |
0.117 |
23 |
37 |
|
[SO4]A:603 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
24624 |
80.0 |
-10.4 |
0.904 |
2 |
0 |
0 |
0.091 |
24 |
38 |
|
[SO4]C:604 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
16 |
8 |
22524 |
79.9 |
-11.2 |
0.793 |
4 |
0 |
0 |
0.120 |
25 |
39 |
|
[SO4]F:604 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
11 |
4 |
24583 |
79.4 |
-11.3 |
0.711 |
2 |
0 |
0 |
0.101 |
26 |
40 |
|
[SO4]N:201 |
5 |
1 |
184 |
f |
N |
x,y,z |
1_555 |
14 |
4 |
8358 |
75.8 |
-11.4 |
0.631 |
2 |
0 |
0 |
0.102 |
27 |
41 |
|
[SO4]B:603 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
24709 |
69.8 |
-8.7 |
0.948 |
2 |
0 |
0 |
0.082 |
28 |
42 |
|
[SO4]F:603 |
4 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
12 |
5 |
24583 |
66.3 |
-7.8 |
0.926 |
2 |
0 |
0 |
0.072 |
29 |
43 |
|
[SO4]M:201 |
4 |
1 |
185 |
f |
M |
x,y,z |
1_555 |
11 |
3 |
8950 |
65.8 |
-8.9 |
0.712 |
3 |
0 |
0 |
0.079 |
30 |
44 |
|
[SO4]H:201 |
5 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
13 |
3 |
7638 |
60.0 |
-8.1 |
0.649 |
1 |
0 |
0 |
0.100 |
31 |
45 |
|
[SO4]A:602 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
24624 |
59.5 |
-7.2 |
0.909 |
2 |
0 |
0 |
0.065 |
32 |
46 |
|
[SO4]C:602 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
22524 |
59.1 |
-6.9 |
0.918 |
2 |
0 |
0 |
0.072 |
33 |
47 |
|
[SO4]M:201 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
8 |
5 |
24637 |
56.9 |
-6.7 |
0.911 |
2 |
0 |
0 |
0.058 |
34 |
48 |
|
[SO4]B:602 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
24709 |
56.9 |
-6.8 |
0.903 |
2 |
0 |
0 |
0.066 |
35 |
49 |
|
[SO4]L:201 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
24686 |
56.8 |
-6.7 |
0.888 |
2 |
0 |
0 |
0.067 |
36 |
50 |
|
E |
10 |
5 |
24637 |
◊ |
F |
x,y,z-1 |
1_554 |
12 |
3 |
24583 |
56.5 |
-0.0 |
0.645 |
0 |
0 |
0 |
0.000 |
37 |
51 |
|
[SO4]F:602 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
6 |
3 |
24583 |
55.7 |
-6.9 |
0.921 |
2 |
0 |
0 |
0.065 |
38 |
52 |
|
L |
7 |
2 |
8872 |
◊ |
C |
x-1,y,z |
1_455 |
6 |
2 |
22524 |
51.2 |
0.8 |
0.783 |
1 |
0 |
0 |
0.000 |
39 |
53 |
|
[SO4]C:602 |
4 |
1 |
185 |
◊ |
K |
x,y,z |
1_555 |
8 |
2 |
7908 |
49.8 |
-6.3 |
0.739 |
1 |
0 |
0 |
0.062 |
40 |
54 |
|
[SO4]B:602 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
10 |
2 |
7638 |
47.9 |
-6.6 |
0.704 |
0 |
0 |
0 |
0.056 |
41 |
55 |
|
[SO4]L:201 |
4 |
1 |
185 |
◊ |
L |
x,y,z |
1_555 |
6 |
1 |
8872 |
46.9 |
-6.3 |
0.619 |
0 |
0 |
0 |
0.055 |
42 |
56 |
|
[SO4]F:602 |
4 |
1 |
185 |
◊ |
N |
x,y,z |
1_555 |
5 |
2 |
8358 |
44.9 |
-6.1 |
0.453 |
0 |
0 |
0 |
0.051 |
43 |
57 |
|
[SO4]A:602 |
3 |
1 |
186 |
◊ |
G |
x,y,z |
1_555 |
7 |
2 |
8763 |
43.5 |
-5.8 |
0.790 |
2 |
0 |
0 |
0.054 |
44 |
58 |
|
[ZN]F:601 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
6 |
4 |
24583 |
37.2 |
-23.9 |
0.000 |
0 |
0 |
0 |
0.219 |
59 |
|
[ZN]A:601 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
24624 |
36.4 |
-23.9 |
0.000 |
0 |
0 |
0 |
0.219 |
60 |
|
[ZN]B:601 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
24709 |
36.2 |
-23.8 |
0.000 |
0 |
0 |
0 |
0.219 |
61 |
|
[ZN]D:601 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
24686 |
36.0 |
-23.8 |
0.000 |
0 |
0 |
0 |
0.219 |
62 |
|
[ZN]E:601 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
6 |
4 |
24637 |
36.0 |
-24.0 |
0.000 |
0 |
0 |
0 |
0.219 |
63 |
|
[ZN]C:601 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
22524 |
35.7 |
-23.7 |
0.000 |
0 |
0 |
0 |
0.219 |
Average: |
36.2 |
-23.9 |
0.000 |
0 |
0 |
0 |
0.219 |
45 |
64 |
|
[ZN]F:601 |
1 |
1 |
98 |
◊ |
N |
x,y,z |
1_555 |
8 |
3 |
8358 |
34.9 |
-14.9 |
0.000 |
0 |
0 |
0 |
0.140 |
65 |
|
[ZN]D:601 |
1 |
1 |
98 |
◊ |
L |
x,y,z |
1_555 |
8 |
3 |
8872 |
34.5 |
-14.9 |
0.000 |
0 |
0 |
0 |
0.140 |
66 |
|
[ZN]C:601 |
1 |
1 |
98 |
◊ |
K |
x,y,z |
1_555 |
8 |
3 |
7908 |
34.4 |
-15.1 |
0.000 |
0 |
0 |
0 |
0.140 |
67 |
|
[ZN]A:601 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
8 |
3 |
8763 |
34.4 |
-14.8 |
0.000 |
0 |
0 |
0 |
0.140 |
68 |
|
[ZN]B:601 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
9 |
3 |
7638 |
34.3 |
-14.9 |
0.000 |
0 |
0 |
0 |
0.140 |
69 |
|
[ZN]E:601 |
1 |
1 |
98 |
◊ |
M |
x,y,z |
1_555 |
9 |
3 |
8950 |
34.1 |
-14.8 |
0.000 |
0 |
0 |
0 |
0.140 |
Average: |
34.4 |
-14.9 |
0.000 |
0 |
0 |
0 |
0.140 |
46 |
70 |
|
K |
4 |
1 |
7908 |
◊ |
G |
x,y,z-1 |
1_554 |
2 |
1 |
8763 |
30.9 |
0.6 |
0.725 |
0 |
0 |
0 |
0.000 |
47 |
71 |
|
[SO4]A:603 |
3 |
1 |
185 |
◊ |
E |
x,y-1,z |
1_545 |
3 |
1 |
24637 |
22.2 |
-2.5 |
0.899 |
1 |
0 |
0 |
0.000 |
48 |
72 |
|
A |
2 |
2 |
24624 |
◊ |
H |
x,y-1,z |
1_545 |
1 |
1 |
7638 |
13.9 |
-0.4 |
0.223 |
0 |
0 |
0 |
0.000 |
49 |
73 |
|
D |
2 |
2 |
24686 |
◊ |
C |
x-1,y,z |
1_455 |
2 |
2 |
22524 |
4.9 |
0.1 |
0.600 |
0 |
0 |
0 |
0.000 |
50 |
74 |
|
M |
2 |
2 |
8950 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
24686 |
4.5 |
0.0 |
0.626 |
0 |
0 |
0 |
0.000 |
75 |
|
K |
1 |
1 |
7908 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
24709 |
0.8 |
-0.0 |
0.597 |
0 |
0 |
0 |
0.000 |
Average: |
2.6 |
0.0 |
0.612 |
0 |
0 |
0 |
0.000 |
|