## |
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 |
150 |
44 |
14418 |
◊ |
A |
x,y,z |
1_555 |
136 |
39 |
14404 |
1531.3 |
-35.1 |
0.312 |
12 |
0 |
0 |
0.763 |
2 |
|
D |
130 |
39 |
14455 |
◊ |
C |
x,y,z |
1_555 |
149 |
44 |
14382 |
1522.0 |
-35.7 |
0.258 |
13 |
0 |
0 |
0.763 |
3 |
|
C |
134 |
39 |
14382 |
◊ |
A |
x,y,z |
1_555 |
149 |
46 |
14404 |
1508.3 |
-34.7 |
0.313 |
12 |
0 |
0 |
0.763 |
4 |
|
D |
142 |
44 |
14455 |
◊ |
B |
x,y,z |
1_555 |
139 |
39 |
14418 |
1500.8 |
-34.1 |
0.333 |
12 |
0 |
0 |
0.763 |
Average: |
1515.6 |
-34.9 |
0.304 |
12 |
0 |
0 |
0.763 |
2 |
5 |
|
[PX4]C:1302 |
19 |
1 |
587 |
f |
C |
x,y,z |
1_555 |
43 |
12 |
14382 |
261.3 |
-3.2 |
0.330 |
1 |
0 |
0 |
0.034 |
6 |
|
[PX4]D:1301 |
18 |
1 |
579 |
f |
D |
x,y,z |
1_555 |
42 |
12 |
14455 |
257.4 |
-3.2 |
0.356 |
0 |
0 |
0 |
0.034 |
Average: |
259.3 |
-3.2 |
0.343 |
1 |
0 |
0 |
0.034 |
3 |
7 |
|
D |
22 |
7 |
14455 |
◊ |
C |
-x+1/2,y-1/2,-z+2 |
4_547 |
22 |
7 |
14382 |
253.0 |
-2.4 |
0.803 |
1 |
0 |
0 |
0.000 |
8 |
|
B |
22 |
7 |
14418 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
21 |
7 |
14404 |
252.1 |
-2.7 |
0.765 |
1 |
0 |
0 |
0.000 |
Average: |
252.5 |
-2.6 |
0.784 |
1 |
0 |
0 |
0.000 |
4 |
9 |
|
[PX4]C:1305 |
18 |
1 |
580 |
f |
A |
x,y,z |
1_555 |
45 |
12 |
14404 |
241.3 |
-2.1 |
0.473 |
0 |
0 |
0 |
0.029 |
10 |
|
[PX4]B:1302 |
18 |
1 |
569 |
f |
B |
x,y,z |
1_555 |
40 |
11 |
14418 |
237.3 |
-2.2 |
0.409 |
1 |
0 |
0 |
0.029 |
Average: |
239.3 |
-2.1 |
0.441 |
1 |
0 |
0 |
0.029 |
5 |
11 |
|
[PX4]C:1302 |
19 |
1 |
587 |
◊ |
D |
x,y,z |
1_555 |
20 |
6 |
14455 |
162.3 |
-0.1 |
0.443 |
0 |
0 |
0 |
0.001 |
12 |
|
[PX4]D:1301 |
18 |
1 |
579 |
◊ |
B |
x,y,z |
1_555 |
20 |
6 |
14418 |
154.9 |
-0.2 |
0.458 |
0 |
0 |
0 |
0.001 |
Average: |
158.6 |
-0.1 |
0.450 |
0 |
0 |
0 |
0.001 |
6 |
13 |
|
[PX4]C:1305 |
16 |
1 |
580 |
◊ |
C |
x,y,z |
1_555 |
19 |
6 |
14382 |
141.6 |
-1.0 |
0.426 |
0 |
0 |
0 |
0.009 |
14 |
|
[PX4]B:1302 |
15 |
1 |
569 |
◊ |
A |
x,y,z |
1_555 |
19 |
6 |
14404 |
136.2 |
-0.9 |
0.418 |
0 |
0 |
0 |
0.009 |
Average: |
138.9 |
-0.9 |
0.422 |
0 |
0 |
0 |
0.009 |
7 |
15 |
|
[PX4]C:1304 |
10 |
1 |
303 |
f |
D |
x,y,z |
1_555 |
22 |
9 |
14455 |
137.0 |
-1.1 |
0.411 |
0 |
0 |
0 |
0.011 |
8 |
16 |
|
[PX4]B:1301 |
10 |
1 |
300 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
14418 |
136.1 |
-0.8 |
0.421 |
0 |
0 |
0 |
0.009 |
9 |
17 |
|
[PX4]C:1301 |
10 |
1 |
298 |
f |
C |
x,y,z |
1_555 |
20 |
8 |
14382 |
132.1 |
-1.2 |
0.405 |
0 |
0 |
0 |
0.013 |
18 |
|
[PX4]A:1303 |
10 |
1 |
300 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
14404 |
131.9 |
-1.2 |
0.404 |
0 |
0 |
0 |
0.013 |
Average: |
132.0 |
-1.2 |
0.404 |
0 |
0 |
0 |
0.013 |
10 |
19 |
|
[PX4]B:1303 |
6 |
1 |
274 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
14418 |
130.0 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.044 |
11 |
20 |
|
[PX4]A:1304 |
6 |
1 |
271 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
14404 |
126.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.045 |
21 |
|
[PX4]D:1302 |
6 |
1 |
272 |
f |
D |
x,y,z |
1_555 |
19 |
6 |
14455 |
117.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.045 |
Average: |
122.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.045 |
12 |
22 |
|
[PX4]C:1303 |
6 |
1 |
270 |
f |
C |
x,y,z |
1_555 |
19 |
6 |
14382 |
121.4 |
-3.9 |
0.785 |
0 |
0 |
0 |
0.037 |
13 |
23 |
|
B |
14 |
5 |
14418 |
◊ |
A |
-x,y,-z+1 |
2_556 |
15 |
5 |
14404 |
116.9 |
-1.2 |
0.812 |
0 |
0 |
0 |
0.000 |
24 |
|
D |
15 |
5 |
14455 |
◊ |
C |
-x,y,-z+1 |
2_556 |
15 |
5 |
14382 |
114.4 |
-1.2 |
0.818 |
0 |
0 |
0 |
0.000 |
Average: |
115.7 |
-1.2 |
0.815 |
0 |
0 |
0 |
0.000 |
14 |
25 |
|
[PX4]A:1305 |
8 |
1 |
304 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
14404 |
107.7 |
-0.8 |
0.423 |
2 |
0 |
0 |
0.018 |
15 |
26 |
|
[PX4]C:1306 |
8 |
1 |
306 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
14382 |
107.6 |
-0.6 |
0.445 |
3 |
0 |
0 |
0.018 |
16 |
27 |
|
[PX4]B:1304 |
8 |
1 |
311 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
14418 |
102.0 |
-1.2 |
0.397 |
1 |
0 |
0 |
0.018 |
17 |
28 |
|
[PX4]D:1303 |
8 |
1 |
308 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
14455 |
95.8 |
-1.1 |
0.421 |
2 |
0 |
0 |
0.020 |
18 |
29 |
|
[PX4]D:1302 |
5 |
1 |
272 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
14418 |
88.7 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.025 |
30 |
|
[PX4]A:1304 |
4 |
1 |
271 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
14382 |
82.0 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.025 |
Average: |
85.4 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.025 |
19 |
31 |
|
[PX4]B:1303 |
6 |
1 |
274 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
14404 |
83.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.012 |
20 |
32 |
|
D |
8 |
2 |
14455 |
◊ |
D |
-x,y,-z+1 |
2_556 |
8 |
2 |
14455 |
67.5 |
-0.5 |
0.792 |
0 |
0 |
0 |
0.000 |
33 |
|
C |
8 |
2 |
14382 |
◊ |
B |
-x,y,-z+1 |
2_556 |
7 |
2 |
14418 |
66.0 |
-0.5 |
0.785 |
0 |
0 |
0 |
0.000 |
34 |
|
A |
9 |
2 |
14404 |
◊ |
A |
-x,y,-z+1 |
2_556 |
9 |
2 |
14404 |
65.3 |
-0.5 |
0.817 |
0 |
0 |
0 |
0.000 |
Average: |
66.3 |
-0.5 |
0.798 |
0 |
0 |
0 |
0.000 |
21 |
35 |
|
[PX4]C:1303 |
3 |
1 |
270 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
14455 |
63.5 |
-1.9 |
0.765 |
0 |
0 |
0 |
0.009 |
22 |
36 |
|
[PX4]B:1304 |
9 |
1 |
311 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
14404 |
57.9 |
0.5 |
0.497 |
1 |
0 |
0 |
0.000 |
23 |
37 |
|
[PX4]D:1303 |
8 |
1 |
308 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
14418 |
56.8 |
0.3 |
0.494 |
0 |
0 |
0 |
0.000 |
24 |
38 |
|
[PX4]A:1305 |
9 |
1 |
304 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
14382 |
56.7 |
0.8 |
0.530 |
0 |
0 |
0 |
0.000 |
25 |
39 |
|
[PX4]C:1306 |
8 |
1 |
306 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
14455 |
55.5 |
0.4 |
0.482 |
0 |
0 |
0 |
0.000 |
26 |
40 |
|
B |
5 |
2 |
14418 |
◊ |
B |
-x,y,-z+1 |
2_556 |
5 |
2 |
14418 |
36.6 |
-0.2 |
0.789 |
0 |
0 |
0 |
0.000 |
41 |
|
C |
4 |
2 |
14382 |
◊ |
C |
-x,y,-z+1 |
2_556 |
5 |
2 |
14382 |
30.7 |
-0.5 |
0.665 |
0 |
0 |
0 |
0.000 |
42 |
|
D |
5 |
2 |
14455 |
◊ |
A |
-x,y,-z+1 |
2_556 |
4 |
2 |
14404 |
30.2 |
-0.6 |
0.638 |
0 |
0 |
0 |
0.000 |
Average: |
32.5 |
-0.4 |
0.697 |
0 |
0 |
0 |
0.000 |
27 |
43 |
|
[PX4]A:1303 |
5 |
1 |
300 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
14418 |
32.6 |
0.1 |
0.347 |
0 |
0 |
0 |
0.000 |
44 |
|
[PX4]C:1301 |
5 |
1 |
298 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
14404 |
30.1 |
0.1 |
0.408 |
0 |
0 |
0 |
0.000 |
Average: |
31.4 |
0.1 |
0.377 |
0 |
0 |
0 |
0.000 |
28 |
45 |
|
[PX4]C:1304 |
4 |
1 |
303 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
14382 |
31.4 |
0.0 |
0.342 |
0 |
0 |
0 |
0.000 |
29 |
46 |
|
[PX4]B:1301 |
3 |
1 |
300 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
14455 |
27.9 |
0.2 |
0.205 |
0 |
0 |
0 |
0.000 |
30 |
47 |
|
[CA]A:1302 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
14404 |
21.6 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.051 |
48 |
|
[CA]A:1302 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
14418 |
19.1 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.051 |
49 |
|
[CA]A:1302 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
14455 |
17.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.051 |
50 |
|
[CA]A:1302 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
14382 |
15.2 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.051 |
Average: |
18.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.051 |
31 |
51 |
|
[CA]A:1301 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
14404 |
21.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.047 |
52 |
|
[CA]A:1301 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
14455 |
19.5 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.047 |
53 |
|
[CA]A:1301 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
14418 |
18.5 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.047 |
54 |
|
[CA]A:1301 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
14382 |
17.7 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.047 |
Average: |
19.3 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.047 |
32 |
55 |
|
D |
1 |
1 |
14455 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14404 |
12.9 |
-1.1 |
0.084 |
0 |
0 |
0 |
0.006 |
56 |
|
C |
1 |
1 |
14382 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
14418 |
3.5 |
-0.3 |
0.343 |
0 |
0 |
0 |
0.006 |
Average: |
8.2 |
-0.7 |
0.214 |
0 |
0 |
0 |
0.006 |
33 |
57 |
|
[PX4]B:1302 |
2 |
1 |
569 |
◊ |
[PX4]D:1303 |
x,y,z |
1_555 |
2 |
1 |
308 |
12.3 |
0.5 |
0.434 |
0 |
0 |
0 |
0.000 |
34 |
58 |
|
[PX4]D:1302 |
1 |
1 |
272 |
◊ |
[PX4]B:1303 |
x,y,z |
1_555 |
1 |
1 |
274 |
9.0 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.001 |
35 |
59 |
|
[PX4]D:1302 |
1 |
1 |
272 |
◊ |
[PX4]C:1303 |
x,y,z |
1_555 |
1 |
1 |
270 |
8.1 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.001 |
36 |
60 |
|
[PX4]C:1302 |
1 |
1 |
587 |
◊ |
[PX4]A:1305 |
x,y,z |
1_555 |
1 |
1 |
304 |
6.1 |
0.1 |
0.324 |
0 |
0 |
0 |
0.000 |
37 |
61 |
|
[CA]A:1302 |
1 |
1 |
85 |
f |
[CA]A:1301 |
x,y,z |
1_555 |
1 |
1 |
85 |
5.7 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.100 |
38 |
62 |
|
[PX4]B:1303 |
1 |
1 |
274 |
◊ |
[PX4]A:1304 |
x,y,z |
1_555 |
1 |
1 |
271 |
3.9 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
39 |
63 |
|
[PX4]C:1303 |
1 |
1 |
270 |
◊ |
[PX4]A:1304 |
x,y,z |
1_555 |
1 |
1 |
271 |
3.8 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
40 |
64 |
|
[PX4]C:1305 |
2 |
1 |
580 |
◊ |
[PX4]B:1304 |
x,y,z |
1_555 |
2 |
1 |
311 |
3.7 |
0.1 |
0.331 |
0 |
0 |
0 |
0.000 |
41 |
65 |
|
[PX4]D:1301 |
1 |
1 |
579 |
◊ |
[PX4]C:1306 |
x,y,z |
1_555 |
1 |
1 |
306 |
0.2 |
0.0 |
0.309 |
0 |
0 |
0 |
0.000 |
|