## |
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 |
162 |
48 |
13451 |
◊ |
A |
x,y,z |
1_555 |
155 |
41 |
13532 |
1679.9 |
-37.8 |
0.419 |
6 |
0 |
0 |
0.991 |
2 |
|
C |
150 |
40 |
12936 |
◊ |
B |
x,y,z |
1_555 |
153 |
48 |
14648 |
1678.6 |
-37.6 |
0.330 |
6 |
0 |
0 |
0.991 |
3 |
|
B |
145 |
42 |
14648 |
◊ |
A |
x,y,z |
1_555 |
156 |
48 |
13532 |
1677.5 |
-35.4 |
0.206 |
7 |
0 |
0 |
0.991 |
4 |
|
D |
144 |
36 |
13451 |
◊ |
C |
x,y,z |
1_555 |
141 |
44 |
12936 |
1539.3 |
-38.5 |
0.271 |
6 |
0 |
0 |
0.991 |
Average: |
1643.8 |
-37.3 |
0.307 |
6 |
0 |
0 |
0.991 |
2 |
5 |
|
A |
35 |
12 |
13532 |
◊ |
B |
-y,x-1,z+1/2 |
3_545 |
39 |
11 |
14648 |
369.8 |
-8.1 |
0.543 |
3 |
0 |
0 |
0.000 |
3 |
6 |
|
C |
32 |
11 |
12936 |
◊ |
D |
-y,x,z-1/2 |
3_554 |
35 |
11 |
13451 |
332.5 |
-9.3 |
0.375 |
0 |
0 |
0 |
0.000 |
4 |
7 |
|
[PX4]B:301 |
26 |
1 |
837 |
f |
B |
x,y,z |
1_555 |
33 |
13 |
14648 |
321.5 |
-2.9 |
0.525 |
0 |
0 |
0 |
0.141 |
5 |
8 |
|
[BNG]C:302 |
16 |
1 |
554 |
◊ |
C |
x,y,z |
1_555 |
32 |
11 |
12936 |
235.5 |
1.8 |
0.426 |
1 |
0 |
0 |
0.000 |
9 |
|
[BNG]A:302 |
16 |
1 |
555 |
◊ |
D |
x,y,z |
1_555 |
36 |
11 |
13451 |
230.1 |
2.0 |
0.444 |
1 |
0 |
0 |
0.000 |
10 |
|
[BNG]C:301 |
15 |
1 |
550 |
◊ |
B |
x,y,z |
1_555 |
38 |
11 |
14648 |
225.5 |
1.9 |
0.449 |
0 |
0 |
0 |
0.000 |
Average: |
230.4 |
1.9 |
0.440 |
1 |
0 |
0 |
0.000 |
6 |
11 |
|
[BNG]A:301 |
16 |
1 |
555 |
◊ |
A |
x,y,z |
1_555 |
36 |
11 |
13532 |
227.1 |
2.0 |
0.459 |
0 |
0 |
0 |
0.000 |
7 |
12 |
|
[PX4]B:301 |
19 |
1 |
837 |
◊ |
C |
x,y,z |
1_555 |
24 |
8 |
12936 |
201.3 |
-0.6 |
0.701 |
0 |
0 |
0 |
0.004 |
8 |
13 |
|
[BNG]C:302 |
15 |
1 |
554 |
◊ |
D |
x,y,z |
1_555 |
24 |
5 |
13451 |
159.0 |
2.1 |
0.377 |
1 |
0 |
0 |
0.000 |
14 |
|
[BNG]A:302 |
16 |
1 |
555 |
◊ |
A |
x,y,z |
1_555 |
24 |
5 |
13532 |
158.5 |
1.2 |
0.265 |
1 |
0 |
0 |
0.000 |
15 |
|
[BNG]C:301 |
17 |
1 |
550 |
◊ |
C |
x,y,z |
1_555 |
21 |
5 |
12936 |
152.7 |
1.6 |
0.252 |
2 |
0 |
0 |
0.000 |
Average: |
156.7 |
1.6 |
0.298 |
1 |
0 |
0 |
0.000 |
9 |
16 |
|
[BNG]A:301 |
16 |
1 |
555 |
◊ |
B |
x,y,z |
1_555 |
25 |
5 |
14648 |
153.3 |
1.1 |
0.257 |
1 |
0 |
0 |
0.000 |
10 |
17 |
|
B |
11 |
3 |
14648 |
x |
B |
-y,x-1,z-1/2 |
3_544 |
12 |
3 |
14648 |
120.1 |
3.0 |
0.987 |
2 |
2 |
0 |
0.000 |
11 |
18 |
|
[PX4]B:301 |
8 |
1 |
837 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
13532 |
109.0 |
-2.5 |
0.402 |
0 |
0 |
0 |
0.015 |
12 |
19 |
|
D |
13 |
5 |
13451 |
◊ |
A |
x,y,z-1 |
1_554 |
9 |
4 |
13532 |
91.1 |
-1.0 |
0.778 |
0 |
0 |
0 |
0.000 |
13 |
20 |
|
C |
7 |
1 |
12936 |
◊ |
B |
x,y,z-1 |
1_554 |
6 |
2 |
14648 |
58.8 |
-1.6 |
0.483 |
0 |
0 |
0 |
0.000 |
14 |
21 |
|
D |
7 |
4 |
13451 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
14648 |
52.4 |
-1.4 |
0.482 |
0 |
0 |
0 |
0.008 |
22 |
|
C |
1 |
1 |
12936 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
13532 |
6.4 |
0.1 |
0.877 |
0 |
0 |
0 |
0.008 |
Average: |
29.4 |
-0.6 |
0.679 |
0 |
0 |
0 |
0.008 |
15 |
23 |
|
D |
5 |
1 |
13451 |
◊ |
B |
x,y,z-1 |
1_554 |
5 |
2 |
14648 |
45.2 |
-0.7 |
0.602 |
0 |
0 |
0 |
0.000 |
16 |
24 |
|
C |
7 |
5 |
12936 |
◊ |
A |
x,y,z-1 |
1_554 |
6 |
4 |
13532 |
44.7 |
-0.1 |
0.846 |
0 |
0 |
0 |
0.000 |
17 |
25 |
|
[BNG]C:302 |
7 |
1 |
554 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
14648 |
41.6 |
0.9 |
0.338 |
0 |
0 |
0 |
0.000 |
26 |
|
[BNG]A:302 |
6 |
1 |
555 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
12936 |
27.5 |
0.2 |
0.241 |
0 |
0 |
0 |
0.000 |
27 |
|
[BNG]C:301 |
4 |
1 |
550 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
13532 |
7.8 |
0.0 |
0.224 |
0 |
0 |
0 |
0.000 |
Average: |
25.6 |
0.4 |
0.268 |
0 |
0 |
0 |
0.000 |
18 |
28 |
|
[BNG]A:301 |
8 |
1 |
555 |
f |
D |
x,y,z |
1_555 |
3 |
2 |
13451 |
39.6 |
0.6 |
0.245 |
0 |
0 |
0 |
0.000 |
19 |
29 |
|
[PX4]B:301 |
5 |
1 |
837 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
13451 |
35.5 |
-0.7 |
0.396 |
0 |
0 |
0 |
0.004 |
20 |
30 |
|
D |
6 |
3 |
13451 |
◊ |
[CA]A:303 |
x,y,z-1 |
1_554 |
1 |
1 |
85 |
34.2 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.000 |
21 |
31 |
|
C |
3 |
1 |
12936 |
◊ |
D |
x,y,z-1 |
1_554 |
6 |
2 |
13451 |
34.0 |
0.4 |
0.880 |
1 |
0 |
0 |
0.000 |
22 |
32 |
|
[CA]A:303 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
13532 |
32.2 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.101 |
23 |
33 |
|
[CA]B:302 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
14648 |
17.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.060 |
34 |
|
[CA]B:302 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
12936 |
17.7 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.060 |
35 |
|
[CA]B:302 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
13532 |
16.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.060 |
36 |
|
[CA]B:302 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
13451 |
11.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.060 |
Average: |
15.9 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.060 |
24 |
37 |
|
[PX4]B:301 |
1 |
1 |
837 |
◊ |
[BNG]C:301 |
x,y,z |
1_555 |
1 |
1 |
550 |
7.1 |
0.1 |
0.361 |
0 |
0 |
0 |
0.000 |
25 |
38 |
|
C |
1 |
1 |
12936 |
◊ |
[CA]A:303 |
x,y,z-1 |
1_554 |
1 |
1 |
85 |
4.5 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
|