| ## |
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 |
128 |
39 |
14473 |
◊ |
C |
x,y,z |
1_555 |
148 |
44 |
14425 |
1483.0 |
-30.5 |
0.435 |
12 |
0 |
0 |
0.758 |
2 |
|
C |
138 |
39 |
14425 |
◊ |
A |
x,y,z |
1_555 |
143 |
44 |
14527 |
1479.8 |
-30.5 |
0.434 |
11 |
0 |
0 |
0.758 |
3 |
|
D |
148 |
46 |
14473 |
◊ |
B |
x,y,z |
1_555 |
135 |
38 |
14427 |
1475.2 |
-30.4 |
0.462 |
11 |
0 |
0 |
0.758 |
4 |
|
B |
147 |
46 |
14427 |
◊ |
A |
x,y,z |
1_555 |
132 |
39 |
14527 |
1469.7 |
-29.7 |
0.470 |
11 |
0 |
0 |
0.758 |
| Average: |
1476.9 |
-30.3 |
0.450 |
11 |
0 |
0 |
0.758 |
| 2 |
5 |
|
A |
24 |
7 |
14527 |
◊ |
A |
-x+2,y,-z+1 |
2_756 |
23 |
7 |
14527 |
270.3 |
-1.9 |
0.842 |
3 |
0 |
0 |
0.000 |
6 |
|
C |
26 |
7 |
14425 |
◊ |
B |
-x+5/2,y-1/2,-z+1 |
4_746 |
25 |
7 |
14427 |
270.3 |
-2.3 |
0.838 |
1 |
0 |
0 |
0.000 |
7 |
|
D |
22 |
7 |
14473 |
◊ |
D |
-x+3,y,-z+1 |
2_856 |
23 |
7 |
14473 |
254.4 |
-2.8 |
0.762 |
1 |
0 |
0 |
0.000 |
| Average: |
265.0 |
-2.3 |
0.814 |
2 |
0 |
0 |
0.000 |
| 3 |
8 |
|
[PX4]B:1303 |
19 |
1 |
598 |
f |
D |
x,y,z |
1_555 |
45 |
12 |
14473 |
269.1 |
-3.3 |
0.350 |
0 |
0 |
0 |
0.037 |
9 |
|
[PX4]D:1301 |
17 |
1 |
576 |
f |
C |
x,y,z |
1_555 |
44 |
12 |
14425 |
245.8 |
-2.4 |
0.423 |
0 |
0 |
0 |
0.037 |
| Average: |
257.4 |
-2.8 |
0.387 |
0 |
0 |
0 |
0.037 |
| 4 |
10 |
|
[PX4]A:1303 |
19 |
1 |
579 |
f |
A |
x,y,z |
1_555 |
46 |
11 |
14527 |
243.8 |
-2.0 |
0.430 |
0 |
0 |
0 |
0.032 |
11 |
|
[PX4]B:1302 |
18 |
1 |
568 |
f |
B |
x,y,z |
1_555 |
42 |
11 |
14427 |
238.6 |
-2.4 |
0.374 |
0 |
0 |
0 |
0.032 |
| Average: |
241.2 |
-2.2 |
0.402 |
0 |
0 |
0 |
0.032 |
| 5 |
12 |
|
[PX4]B:1303 |
16 |
1 |
598 |
◊ |
B |
x,y,z |
1_555 |
20 |
6 |
14427 |
157.5 |
-0.2 |
0.448 |
1 |
0 |
0 |
0.005 |
13 |
|
[PX4]D:1301 |
17 |
1 |
576 |
◊ |
D |
x,y,z |
1_555 |
20 |
6 |
14473 |
153.6 |
-0.4 |
0.426 |
0 |
0 |
0 |
0.005 |
| Average: |
155.6 |
-0.3 |
0.437 |
1 |
0 |
0 |
0.005 |
| 6 |
14 |
|
[PX4]A:1303 |
16 |
1 |
579 |
◊ |
C |
x,y,z |
1_555 |
19 |
6 |
14425 |
140.2 |
-1.0 |
0.398 |
0 |
0 |
0 |
0.006 |
| 7 |
15 |
|
[PX4]D:1302 |
9 |
1 |
295 |
f |
D |
x,y,z |
1_555 |
22 |
9 |
14473 |
139.9 |
-1.2 |
0.426 |
0 |
0 |
0 |
0.014 |
| 8 |
16 |
|
[PX4]C:1302 |
9 |
1 |
299 |
f |
C |
x,y,z |
1_555 |
19 |
8 |
14425 |
136.3 |
-1.1 |
0.408 |
0 |
0 |
0 |
0.018 |
17 |
|
[PX4]A:1302 |
10 |
1 |
294 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
14527 |
123.0 |
-1.6 |
0.354 |
0 |
0 |
0 |
0.018 |
| Average: |
129.6 |
-1.4 |
0.381 |
0 |
0 |
0 |
0.018 |
| 9 |
18 |
|
[PX4]B:1301 |
9 |
1 |
292 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
14427 |
134.1 |
-1.6 |
0.416 |
0 |
0 |
0 |
0.021 |
| 10 |
19 |
|
[PX4]B:1302 |
16 |
1 |
568 |
◊ |
A |
x,y,z |
1_555 |
18 |
5 |
14527 |
134.1 |
-0.8 |
0.391 |
1 |
0 |
0 |
0.006 |
| 11 |
20 |
|
[PX4]A:1304 |
6 |
1 |
273 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
14527 |
122.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.052 |
21 |
|
[PX4]B:1304 |
6 |
1 |
273 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
14427 |
121.8 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.052 |
| Average: |
122.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.052 |
| 12 |
22 |
|
[PX4]C:1303 |
6 |
1 |
272 |
f |
C |
x,y,z |
1_555 |
19 |
6 |
14425 |
121.3 |
-4.0 |
0.764 |
0 |
0 |
0 |
0.053 |
| 13 |
23 |
|
[PX4]D:1303 |
6 |
1 |
273 |
f |
D |
x,y,z |
1_555 |
19 |
6 |
14473 |
119.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.043 |
| 14 |
24 |
|
D |
13 |
6 |
14473 |
◊ |
D |
-x+2,y,-z |
2_755 |
13 |
6 |
14473 |
105.0 |
-1.3 |
0.759 |
0 |
0 |
0 |
0.000 |
25 |
|
C |
12 |
5 |
14425 |
◊ |
B |
-x+2,y,-z |
2_755 |
14 |
5 |
14427 |
104.7 |
-1.4 |
0.756 |
0 |
0 |
0 |
0.000 |
26 |
|
A |
11 |
5 |
14527 |
◊ |
A |
-x+2,y,-z |
2_755 |
11 |
5 |
14527 |
99.4 |
-1.5 |
0.677 |
0 |
0 |
0 |
0.000 |
| Average: |
103.0 |
-1.4 |
0.731 |
0 |
0 |
0 |
0.000 |
| 15 |
27 |
|
[PX4]A:1305 |
8 |
1 |
310 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
14427 |
100.4 |
0.8 |
0.604 |
1 |
0 |
0 |
0.014 |
28 |
|
[PX4]A:1306 |
8 |
1 |
305 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
14527 |
96.0 |
-0.7 |
0.425 |
1 |
0 |
0 |
0.014 |
| Average: |
98.2 |
0.0 |
0.515 |
1 |
0 |
0 |
0.014 |
| 16 |
29 |
|
[PX4]D:1304 |
7 |
1 |
306 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
14473 |
96.3 |
-0.3 |
0.505 |
2 |
0 |
0 |
0.013 |
| 17 |
30 |
|
[PX4]C:1304 |
7 |
1 |
304 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
14425 |
82.2 |
1.2 |
0.595 |
2 |
0 |
0 |
0.000 |
| 18 |
31 |
|
[PX4]D:1303 |
4 |
1 |
273 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
14427 |
73.6 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.012 |
| 19 |
32 |
|
[PX4]B:1304 |
6 |
1 |
273 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
14527 |
72.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.023 |
33 |
|
[PX4]A:1304 |
6 |
1 |
273 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
14425 |
65.9 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.023 |
| Average: |
69.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.023 |
| 20 |
34 |
|
[PX4]C:1303 |
5 |
1 |
272 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
14473 |
70.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.011 |
| 21 |
35 |
|
D |
7 |
2 |
14473 |
◊ |
B |
-x+2,y,-z |
2_755 |
7 |
2 |
14427 |
67.9 |
-0.5 |
0.764 |
0 |
0 |
0 |
0.000 |
36 |
|
C |
7 |
2 |
14425 |
◊ |
A |
-x+2,y,-z |
2_755 |
7 |
2 |
14527 |
65.8 |
-0.4 |
0.790 |
0 |
0 |
0 |
0.000 |
| Average: |
66.9 |
-0.4 |
0.777 |
0 |
0 |
0 |
0.000 |
| 22 |
37 |
|
[PX4]C:1304 |
8 |
1 |
304 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
14473 |
65.9 |
0.6 |
0.480 |
0 |
0 |
0 |
0.000 |
| 23 |
38 |
|
[PX4]D:1304 |
9 |
1 |
306 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
14427 |
56.2 |
0.4 |
0.521 |
0 |
0 |
0 |
0.000 |
| 24 |
39 |
|
[PX4]A:1305 |
9 |
1 |
310 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
14527 |
55.6 |
0.3 |
0.499 |
0 |
0 |
0 |
0.000 |
40 |
|
[PX4]A:1306 |
7 |
1 |
305 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
14425 |
52.7 |
0.3 |
0.551 |
1 |
0 |
0 |
0.000 |
| Average: |
54.2 |
0.3 |
0.525 |
1 |
0 |
0 |
0.000 |
| 25 |
41 |
|
[PX4]B:1301 |
4 |
1 |
292 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
14473 |
37.4 |
0.3 |
0.248 |
0 |
0 |
0 |
0.000 |
| 26 |
42 |
|
[PX4]A:1302 |
3 |
1 |
294 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
14427 |
32.1 |
0.2 |
0.404 |
0 |
0 |
0 |
0.000 |
43 |
|
[PX4]C:1302 |
3 |
1 |
299 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14527 |
27.5 |
0.1 |
0.174 |
0 |
0 |
0 |
0.000 |
| Average: |
29.8 |
0.2 |
0.289 |
0 |
0 |
0 |
0.000 |
| 27 |
44 |
|
B |
5 |
2 |
14427 |
◊ |
A |
-x+2,y,-z |
2_755 |
4 |
2 |
14527 |
29.1 |
-0.1 |
0.719 |
0 |
0 |
0 |
0.000 |
45 |
|
D |
2 |
2 |
14473 |
◊ |
C |
-x+2,y,-z |
2_755 |
3 |
2 |
14425 |
15.9 |
-0.5 |
0.483 |
0 |
0 |
0 |
0.000 |
| Average: |
22.5 |
-0.3 |
0.601 |
0 |
0 |
0 |
0.000 |
| 28 |
46 |
|
[PX4]D:1302 |
4 |
1 |
295 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
14425 |
27.2 |
0.1 |
0.364 |
0 |
0 |
0 |
0.000 |
| 29 |
47 |
|
[CA]A:1301 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
14427 |
20.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.054 |
48 |
|
[CA]A:1301 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
14527 |
19.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.054 |
49 |
|
[CA]A:1301 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
14425 |
16.6 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.054 |
50 |
|
[CA]A:1301 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
4 |
3 |
14473 |
16.0 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.054 |
| Average: |
18.1 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.054 |
| 30 |
51 |
|
[CA]C:1301 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
14427 |
19.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.060 |
52 |
|
[CA]C:1301 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
14473 |
19.3 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.060 |
53 |
|
[CA]C:1301 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
14425 |
18.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.060 |
54 |
|
[CA]C:1301 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
14527 |
17.7 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.060 |
| Average: |
18.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.060 |
| 31 |
55 |
|
[PX4]B:1304 |
2 |
1 |
273 |
◊ |
[PX4]A:1304 |
x,y,z |
1_555 |
1 |
1 |
273 |
17.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.003 |
| 32 |
56 |
|
[PX4]D:1303 |
2 |
1 |
273 |
◊ |
[PX4]B:1304 |
x,y,z |
1_555 |
1 |
1 |
273 |
14.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
| 33 |
57 |
|
[PX4]B:1302 |
1 |
1 |
568 |
◊ |
[PX4]D:1304 |
x,y,z |
1_555 |
1 |
1 |
306 |
13.0 |
0.6 |
0.463 |
0 |
0 |
0 |
0.000 |
| 34 |
58 |
|
[PX4]B:1303 |
1 |
1 |
598 |
f |
[PX4]C:1304 |
x,y,z |
1_555 |
2 |
1 |
304 |
12.4 |
0.1 |
0.339 |
0 |
0 |
0 |
0.000 |
| 35 |
59 |
|
D |
1 |
1 |
14473 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14527 |
11.1 |
-0.9 |
0.113 |
0 |
0 |
0 |
0.007 |
60 |
|
C |
1 |
1 |
14425 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
14427 |
5.1 |
-0.4 |
0.274 |
0 |
0 |
0 |
0.007 |
| Average: |
8.1 |
-0.7 |
0.194 |
0 |
0 |
0 |
0.007 |
| 36 |
61 |
|
[PX4]D:1303 |
1 |
1 |
273 |
◊ |
[PX4]C:1303 |
x,y,z |
1_555 |
1 |
1 |
272 |
10.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
| 37 |
62 |
|
[PX4]C:1303 |
1 |
1 |
272 |
◊ |
[PX4]A:1304 |
x,y,z |
1_555 |
1 |
1 |
273 |
9.4 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
| 38 |
63 |
|
[PX4]A:1303 |
2 |
1 |
579 |
◊ |
[PX4]A:1305 |
x,y,z |
1_555 |
1 |
1 |
310 |
6.6 |
0.3 |
0.325 |
0 |
0 |
0 |
0.000 |
| 39 |
64 |
|
[CA]C:1301 |
1 |
1 |
85 |
f |
[CA]A:1301 |
x,y,z |
1_555 |
1 |
1 |
85 |
5.3 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.100 |
| 40 |
65 |
|
[PX4]D:1301 |
1 |
1 |
576 |
◊ |
[PX4]A:1306 |
x,y,z |
1_555 |
1 |
1 |
305 |
3.7 |
0.1 |
0.293 |
0 |
0 |
0 |
0.000 |
|