| ## |
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 |
130 |
38 |
14417 |
◊ |
A |
x,y,z |
1_555 |
147 |
45 |
14385 |
1501.6 |
-34.2 |
0.282 |
10 |
0 |
0 |
0.757 |
2 |
|
D |
127 |
39 |
14343 |
◊ |
B |
x,y,z |
1_555 |
145 |
45 |
14417 |
1493.5 |
-33.4 |
0.286 |
10 |
0 |
0 |
0.757 |
3 |
|
D |
150 |
44 |
14343 |
◊ |
C |
x,y,z |
1_555 |
130 |
38 |
14380 |
1486.0 |
-33.5 |
0.329 |
11 |
0 |
0 |
0.757 |
4 |
|
C |
144 |
43 |
14380 |
◊ |
A |
x,y,z |
1_555 |
131 |
38 |
14385 |
1482.1 |
-33.6 |
0.304 |
11 |
0 |
0 |
0.757 |
| Average: |
1490.8 |
-33.7 |
0.300 |
11 |
0 |
0 |
0.757 |
| 2 |
5 |
|
[PX4]D:1302 |
18 |
1 |
590 |
f |
D |
x,y,z |
1_555 |
47 |
12 |
14343 |
268.0 |
-2.9 |
0.416 |
0 |
0 |
0 |
0.031 |
| 3 |
6 |
|
D |
24 |
7 |
14343 |
◊ |
A |
-x+5/2,y-1/2,-z+3 |
4_748 |
24 |
7 |
14385 |
256.5 |
-2.1 |
0.841 |
3 |
0 |
0 |
0.000 |
7 |
|
C |
24 |
7 |
14380 |
◊ |
C |
-x+3,y,-z+3 |
2_858 |
23 |
7 |
14380 |
256.5 |
-2.5 |
0.814 |
1 |
0 |
0 |
0.000 |
8 |
|
B |
21 |
7 |
14417 |
◊ |
B |
-x+2,y,-z+3 |
2_758 |
22 |
7 |
14417 |
249.9 |
-2.5 |
0.776 |
1 |
0 |
0 |
0.000 |
| Average: |
254.3 |
-2.4 |
0.810 |
2 |
0 |
0 |
0.000 |
| 4 |
9 |
|
[PX4]B:1303 |
17 |
1 |
583 |
f |
B |
x,y,z |
1_555 |
44 |
12 |
14417 |
255.1 |
-3.0 |
0.423 |
0 |
0 |
0 |
0.033 |
| 5 |
10 |
|
[PX4]A:1304 |
18 |
1 |
565 |
f |
C |
x,y,z |
1_555 |
43 |
12 |
14380 |
245.4 |
-2.3 |
0.405 |
0 |
0 |
0 |
0.026 |
11 |
|
[PX4]A:1305 |
17 |
1 |
573 |
f |
A |
x,y,z |
1_555 |
43 |
11 |
14385 |
240.5 |
-1.9 |
0.490 |
0 |
0 |
0 |
0.026 |
| Average: |
243.0 |
-2.1 |
0.447 |
0 |
0 |
0 |
0.026 |
| 6 |
12 |
|
[PX4]D:1302 |
18 |
1 |
590 |
◊ |
C |
x,y,z |
1_555 |
20 |
6 |
14380 |
151.3 |
-0.5 |
0.442 |
0 |
0 |
0 |
0.002 |
| 7 |
13 |
|
[PX4]B:1303 |
18 |
1 |
583 |
◊ |
D |
x,y,z |
1_555 |
19 |
6 |
14343 |
147.2 |
-0.6 |
0.439 |
1 |
0 |
0 |
0.005 |
| 8 |
14 |
|
[PX4]D:1301 |
9 |
1 |
302 |
f |
D |
x,y,z |
1_555 |
22 |
9 |
14343 |
138.0 |
-0.9 |
0.431 |
0 |
0 |
0 |
0.010 |
| 9 |
15 |
|
[PX4]A:1305 |
16 |
1 |
573 |
◊ |
B |
x,y,z |
1_555 |
18 |
5 |
14417 |
133.1 |
-1.1 |
0.406 |
1 |
0 |
0 |
0.010 |
16 |
|
[PX4]A:1304 |
15 |
1 |
565 |
◊ |
A |
x,y,z |
1_555 |
18 |
5 |
14385 |
129.4 |
-0.4 |
0.442 |
0 |
0 |
0 |
0.010 |
| Average: |
131.2 |
-0.8 |
0.424 |
1 |
0 |
0 |
0.010 |
| 10 |
17 |
|
[PX4]B:1302 |
10 |
1 |
302 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
14417 |
133.1 |
-1.1 |
0.416 |
0 |
0 |
0 |
0.014 |
18 |
|
[PX4]A:1303 |
10 |
1 |
294 |
f |
A |
x,y,z |
1_555 |
22 |
8 |
14385 |
132.3 |
-1.2 |
0.403 |
0 |
0 |
0 |
0.014 |
| Average: |
132.7 |
-1.1 |
0.410 |
0 |
0 |
0 |
0.014 |
| 11 |
19 |
|
[PX4]C:1301 |
9 |
1 |
298 |
f |
C |
x,y,z |
1_555 |
21 |
8 |
14380 |
131.1 |
-1.2 |
0.412 |
0 |
0 |
0 |
0.013 |
| 12 |
20 |
|
[PX4]A:1306 |
6 |
1 |
274 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
14385 |
128.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.058 |
21 |
|
[PX4]D:1303 |
6 |
1 |
275 |
f |
D |
x,y,z |
1_555 |
18 |
6 |
14343 |
121.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.058 |
22 |
|
[PX4]C:1302 |
6 |
1 |
272 |
f |
C |
x,y,z |
1_555 |
19 |
6 |
14380 |
116.9 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.058 |
| Average: |
122.2 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.058 |
| 13 |
23 |
|
[PX4]B:1304 |
6 |
1 |
273 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
14417 |
117.7 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.041 |
| 14 |
24 |
|
[PX4]A:1307 |
8 |
1 |
308 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
14385 |
108.3 |
-0.4 |
0.483 |
2 |
0 |
0 |
0.015 |
| 15 |
25 |
|
[PX4]B:1305 |
9 |
1 |
306 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
14417 |
106.7 |
-0.4 |
0.453 |
2 |
0 |
0 |
0.014 |
| 16 |
26 |
|
B |
14 |
5 |
14417 |
◊ |
B |
-x+2,y,-z+2 |
2_757 |
14 |
5 |
14417 |
105.0 |
-1.3 |
0.788 |
0 |
0 |
0 |
0.000 |
27 |
|
D |
12 |
5 |
14343 |
◊ |
A |
-x+2,y,-z+2 |
2_757 |
12 |
5 |
14385 |
104.8 |
-1.4 |
0.726 |
0 |
0 |
0 |
0.000 |
28 |
|
C |
13 |
5 |
14380 |
◊ |
C |
-x+2,y,-z+2 |
2_757 |
13 |
5 |
14380 |
104.6 |
-1.4 |
0.759 |
0 |
0 |
0 |
0.000 |
| Average: |
104.8 |
-1.4 |
0.758 |
0 |
0 |
0 |
0.000 |
| 17 |
29 |
|
[PX4]C:1303 |
8 |
1 |
307 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
14380 |
96.6 |
-1.2 |
0.401 |
1 |
0 |
0 |
0.018 |
| 18 |
30 |
|
[PX4]D:1304 |
7 |
1 |
307 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
14343 |
89.6 |
-0.9 |
0.449 |
2 |
0 |
0 |
0.019 |
| 19 |
31 |
|
[PX4]D:1303 |
6 |
1 |
275 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
14380 |
84.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.025 |
32 |
|
[PX4]C:1302 |
6 |
1 |
272 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
14385 |
78.9 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.025 |
| Average: |
81.6 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.025 |
| 20 |
33 |
|
[PX4]A:1306 |
5 |
1 |
274 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
14417 |
76.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.011 |
| 21 |
34 |
|
[PX4]B:1304 |
4 |
1 |
273 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
14343 |
72.4 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.011 |
| 22 |
35 |
|
D |
7 |
2 |
14343 |
◊ |
B |
-x+2,y,-z+2 |
2_757 |
7 |
2 |
14417 |
67.7 |
-0.5 |
0.765 |
0 |
0 |
0 |
0.000 |
36 |
|
C |
8 |
2 |
14380 |
◊ |
A |
-x+2,y,-z+2 |
2_757 |
7 |
2 |
14385 |
64.7 |
-0.5 |
0.778 |
0 |
0 |
0 |
0.000 |
| Average: |
66.2 |
-0.5 |
0.771 |
0 |
0 |
0 |
0.000 |
| 23 |
37 |
|
[PX4]A:1307 |
8 |
1 |
308 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
14417 |
61.0 |
0.1 |
0.502 |
0 |
0 |
0 |
0.000 |
| 24 |
38 |
|
[PX4]C:1303 |
8 |
1 |
307 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
14385 |
55.8 |
0.3 |
0.500 |
0 |
0 |
0 |
0.000 |
| 25 |
39 |
|
[PX4]D:1304 |
9 |
1 |
307 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
14380 |
53.9 |
0.2 |
0.481 |
0 |
0 |
0 |
0.000 |
| 26 |
40 |
|
[PX4]B:1305 |
7 |
1 |
306 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
14343 |
50.8 |
-0.0 |
0.484 |
0 |
0 |
0 |
0.000 |
| 27 |
41 |
|
[PX4]B:1302 |
5 |
1 |
302 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
14385 |
29.9 |
0.1 |
0.286 |
0 |
0 |
0 |
0.000 |
42 |
|
[PX4]A:1303 |
5 |
1 |
294 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
14380 |
28.7 |
0.1 |
0.193 |
0 |
0 |
0 |
0.000 |
| Average: |
29.3 |
0.1 |
0.240 |
0 |
0 |
0 |
0.000 |
| 28 |
43 |
|
[PX4]C:1301 |
4 |
1 |
298 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
14343 |
29.1 |
0.1 |
0.181 |
0 |
0 |
0 |
0.000 |
| 29 |
44 |
|
B |
5 |
2 |
14417 |
◊ |
A |
-x+2,y,-z+2 |
2_757 |
5 |
2 |
14385 |
27.7 |
-0.4 |
0.711 |
0 |
0 |
0 |
0.000 |
45 |
|
D |
5 |
2 |
14343 |
◊ |
C |
-x+2,y,-z+2 |
2_757 |
4 |
2 |
14380 |
22.4 |
-0.6 |
0.641 |
0 |
0 |
0 |
0.000 |
| Average: |
25.0 |
-0.5 |
0.676 |
0 |
0 |
0 |
0.000 |
| 30 |
46 |
|
[PX4]D:1301 |
6 |
1 |
302 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
14417 |
26.2 |
0.1 |
0.312 |
0 |
0 |
0 |
0.000 |
| 31 |
47 |
|
[CA]A:1301 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
14343 |
20.9 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.050 |
48 |
|
[CA]A:1301 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
14385 |
20.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.050 |
49 |
|
[CA]A:1301 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
14380 |
19.8 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.050 |
50 |
|
[CA]A:1301 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
14417 |
19.4 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.050 |
| Average: |
20.3 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.050 |
| 32 |
51 |
|
[CA]B:1301 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
14417 |
19.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.050 |
52 |
|
[CA]B:1301 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
14385 |
17.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.050 |
53 |
|
[CA]B:1301 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
14343 |
17.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.050 |
54 |
|
[CA]B:1301 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
14380 |
15.7 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.050 |
| Average: |
17.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.050 |
| 33 |
55 |
|
D |
2 |
2 |
14343 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
14385 |
18.6 |
-0.6 |
0.399 |
0 |
0 |
0 |
0.004 |
56 |
|
C |
2 |
2 |
14380 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
14417 |
11.7 |
-0.3 |
0.562 |
0 |
0 |
0 |
0.004 |
| Average: |
15.2 |
-0.4 |
0.480 |
0 |
0 |
0 |
0.004 |
| 34 |
57 |
|
[PX4]D:1303 |
1 |
1 |
275 |
◊ |
[PX4]B:1304 |
x,y,z |
1_555 |
1 |
1 |
273 |
10.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
| 35 |
58 |
|
[PX4]A:1304 |
3 |
1 |
565 |
◊ |
[PX4]D:1304 |
x,y,z |
1_555 |
2 |
1 |
307 |
8.6 |
0.3 |
0.321 |
0 |
0 |
0 |
0.000 |
| 36 |
59 |
|
[PX4]C:1302 |
2 |
1 |
272 |
◊ |
[PX4]A:1306 |
x,y,z |
1_555 |
1 |
1 |
274 |
8.6 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
60 |
|
[PX4]D:1303 |
1 |
1 |
275 |
◊ |
[PX4]C:1302 |
x,y,z |
1_555 |
1 |
1 |
272 |
4.4 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
| Average: |
6.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
| 37 |
61 |
|
[PX4]B:1304 |
1 |
1 |
273 |
◊ |
[PX4]A:1306 |
x,y,z |
1_555 |
2 |
1 |
274 |
5.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 38 |
62 |
|
[PX4]A:1305 |
2 |
1 |
573 |
◊ |
[PX4]C:1303 |
x,y,z |
1_555 |
1 |
1 |
307 |
5.1 |
0.2 |
0.315 |
0 |
0 |
0 |
0.000 |
| 39 |
63 |
|
[CA]B:1301 |
1 |
1 |
85 |
f |
[CA]A:1301 |
x,y,z |
1_555 |
1 |
1 |
85 |
3.3 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.100 |
|