## |
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 |
226 |
66 |
13231 |
◊ |
B |
x,y,z |
1_555 |
225 |
69 |
13167 |
2243.8 |
-34.7 |
0.002 |
17 |
8 |
0 |
0.397 |
2 |
|
C |
220 |
67 |
13198 |
◊ |
A |
x,y,z |
1_555 |
223 |
68 |
13239 |
2241.0 |
-35.7 |
0.001 |
19 |
8 |
0 |
0.397 |
Average: |
2242.4 |
-35.2 |
0.002 |
18 |
8 |
0 |
0.397 |
2 |
3 |
|
B |
111 |
30 |
13167 |
◊ |
A |
x,y,z |
1_555 |
114 |
33 |
13239 |
1027.4 |
1.1 |
0.823 |
11 |
3 |
0 |
0.000 |
3 |
4 |
|
C |
77 |
21 |
13198 |
x |
C |
-x,y-1/2,-z |
2_545 |
62 |
17 |
13198 |
654.0 |
-0.7 |
0.661 |
8 |
1 |
0 |
0.000 |
5 |
|
D |
64 |
17 |
13231 |
x |
D |
-x+1,y-1/2,-z+1 |
2_646 |
70 |
20 |
13231 |
621.6 |
-0.9 |
0.594 |
6 |
4 |
0 |
0.000 |
Average: |
637.8 |
-0.8 |
0.628 |
7 |
3 |
0 |
0.000 |
4 |
6 |
|
C |
50 |
11 |
13198 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
55 |
16 |
13239 |
441.7 |
-4.2 |
0.329 |
1 |
0 |
0 |
0.000 |
5 |
7 |
|
[ADP]C:301 |
27 |
1 |
570 |
f |
C |
x,y,z |
1_555 |
55 |
21 |
13198 |
377.7 |
-7.5 |
0.453 |
15 |
0 |
0 |
0.246 |
8 |
|
[ADP]D:301 |
27 |
1 |
569 |
f |
D |
x,y,z |
1_555 |
62 |
23 |
13231 |
371.2 |
-7.7 |
0.470 |
13 |
0 |
0 |
0.246 |
9 |
|
[ADP]B:301 |
27 |
1 |
568 |
f |
B |
x,y,z |
1_555 |
59 |
21 |
13167 |
352.2 |
-7.4 |
0.475 |
15 |
0 |
0 |
0.246 |
10 |
|
[ADP]A:301 |
27 |
1 |
568 |
f |
A |
x,y,z |
1_555 |
64 |
21 |
13239 |
349.3 |
-7.0 |
0.474 |
13 |
0 |
0 |
0.246 |
Average: |
362.6 |
-7.4 |
0.468 |
14 |
0 |
0 |
0.246 |
6 |
11 |
|
[N7E]B:302 |
21 |
1 |
639 |
f |
D |
x,y,z |
1_555 |
47 |
15 |
13231 |
290.1 |
-2.4 |
0.489 |
3 |
0 |
0 |
0.068 |
12 |
|
[N7E]A:302 |
21 |
1 |
635 |
f |
C |
x,y,z |
1_555 |
46 |
15 |
13198 |
288.7 |
-3.0 |
0.501 |
4 |
0 |
0 |
0.068 |
13 |
|
[N7E]D:302 |
21 |
1 |
641 |
f |
B |
x,y,z |
1_555 |
44 |
14 |
13167 |
286.2 |
-2.6 |
0.524 |
2 |
0 |
0 |
0.068 |
14 |
|
[N7E]C:302 |
21 |
1 |
641 |
f |
A |
x,y,z |
1_555 |
46 |
15 |
13239 |
284.8 |
-2.5 |
0.483 |
1 |
0 |
0 |
0.068 |
Average: |
287.5 |
-2.7 |
0.499 |
3 |
0 |
0 |
0.068 |
7 |
15 |
|
C |
34 |
10 |
13198 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
27 |
7 |
13239 |
248.0 |
-1.6 |
0.443 |
1 |
0 |
0 |
0.000 |
16 |
|
B |
30 |
8 |
13167 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
32 |
11 |
13231 |
232.0 |
-1.9 |
0.425 |
1 |
0 |
0 |
0.000 |
Average: |
240.0 |
-1.7 |
0.434 |
1 |
0 |
0 |
0.000 |
8 |
17 |
|
[N7E]D:302 |
20 |
1 |
641 |
◊ |
D |
x,y,z |
1_555 |
40 |
16 |
13231 |
234.2 |
-1.5 |
0.631 |
6 |
0 |
0 |
0.079 |
18 |
|
[N7E]C:302 |
20 |
1 |
641 |
◊ |
C |
x,y,z |
1_555 |
40 |
17 |
13198 |
230.9 |
-1.7 |
0.615 |
6 |
0 |
0 |
0.079 |
19 |
|
[N7E]B:302 |
19 |
1 |
639 |
◊ |
B |
x,y,z |
1_555 |
38 |
16 |
13167 |
230.1 |
-1.9 |
0.580 |
6 |
0 |
0 |
0.079 |
20 |
|
[N7E]A:302 |
20 |
1 |
635 |
◊ |
A |
x,y,z |
1_555 |
38 |
15 |
13239 |
228.9 |
-1.6 |
0.618 |
7 |
0 |
0 |
0.079 |
Average: |
231.0 |
-1.7 |
0.611 |
6 |
0 |
0 |
0.079 |
9 |
21 |
|
A |
20 |
6 |
13239 |
◊ |
B |
x,y-1,z |
1_545 |
21 |
7 |
13167 |
202.3 |
-3.7 |
0.149 |
0 |
0 |
0 |
0.000 |
10 |
22 |
|
B |
16 |
5 |
13167 |
◊ |
D |
x-1,y-1,z |
1_445 |
17 |
6 |
13231 |
154.4 |
0.2 |
0.632 |
1 |
0 |
0 |
0.000 |
11 |
23 |
|
C |
12 |
5 |
13198 |
x |
C |
-x+1,y-1/2,-z |
2_645 |
19 |
5 |
13198 |
119.1 |
1.1 |
0.791 |
0 |
0 |
0 |
0.000 |
12 |
24 |
|
C |
16 |
6 |
13198 |
◊ |
A |
x,y-1,z |
1_545 |
14 |
3 |
13239 |
113.5 |
0.1 |
0.654 |
2 |
0 |
0 |
0.000 |
25 |
|
B |
11 |
3 |
13167 |
◊ |
D |
x,y-1,z |
1_545 |
15 |
7 |
13231 |
101.9 |
-0.1 |
0.616 |
1 |
0 |
0 |
0.000 |
Average: |
107.7 |
0.0 |
0.635 |
2 |
0 |
0 |
0.000 |
13 |
26 |
|
A |
14 |
3 |
13239 |
x |
A |
x,y-1,z |
1_545 |
11 |
3 |
13239 |
109.1 |
0.3 |
0.681 |
0 |
0 |
0 |
0.000 |
27 |
|
B |
7 |
3 |
13167 |
x |
B |
x,y-1,z |
1_545 |
10 |
4 |
13167 |
45.8 |
-0.1 |
0.612 |
0 |
0 |
0 |
0.000 |
Average: |
77.5 |
0.1 |
0.647 |
0 |
0 |
0 |
0.000 |
14 |
28 |
|
[MG]B:303 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
13167 |
50.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.081 |
29 |
|
[MG]C:303 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
13198 |
49.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.081 |
30 |
|
[MG]A:303 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
13239 |
48.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.081 |
31 |
|
[MG]D:303 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
13231 |
47.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.081 |
Average: |
49.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.081 |
15 |
32 |
|
[N7E]D:302 |
4 |
1 |
641 |
◊ |
[ADP]D:301 |
x,y,z |
1_555 |
5 |
1 |
569 |
42.1 |
-1.6 |
0.517 |
0 |
0 |
0 |
0.026 |
33 |
|
[N7E]C:302 |
4 |
1 |
641 |
◊ |
[ADP]C:301 |
x,y,z |
1_555 |
5 |
1 |
570 |
39.6 |
-1.4 |
0.525 |
0 |
0 |
0 |
0.026 |
34 |
|
[N7E]B:302 |
4 |
1 |
639 |
◊ |
[ADP]B:301 |
x,y,z |
1_555 |
5 |
1 |
568 |
38.2 |
-1.3 |
0.523 |
0 |
0 |
0 |
0.026 |
35 |
|
[N7E]A:302 |
4 |
1 |
635 |
◊ |
[ADP]A:301 |
x,y,z |
1_555 |
4 |
1 |
568 |
37.9 |
-1.4 |
0.471 |
0 |
0 |
0 |
0.026 |
Average: |
39.4 |
-1.4 |
0.509 |
0 |
0 |
0 |
0.026 |
16 |
36 |
|
[ADP]A:301 |
3 |
1 |
568 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
13167 |
38.9 |
1.1 |
0.786 |
2 |
0 |
0 |
0.000 |
37 |
|
[ADP]B:301 |
3 |
1 |
568 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
13239 |
36.2 |
1.0 |
0.776 |
2 |
0 |
0 |
0.000 |
Average: |
37.6 |
1.0 |
0.781 |
2 |
0 |
0 |
0.000 |
17 |
38 |
|
[MG]D:303 |
1 |
1 |
98 |
f |
[ADP]D:301 |
x,y,z |
1_555 |
5 |
1 |
569 |
28.6 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.073 |
39 |
|
[MG]A:303 |
1 |
1 |
98 |
f |
[ADP]A:301 |
x,y,z |
1_555 |
6 |
1 |
568 |
27.2 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.073 |
40 |
|
[MG]B:303 |
1 |
1 |
98 |
f |
[ADP]B:301 |
x,y,z |
1_555 |
4 |
1 |
568 |
27.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.073 |
41 |
|
[MG]C:303 |
1 |
1 |
98 |
f |
[ADP]C:301 |
x,y,z |
1_555 |
3 |
1 |
570 |
25.8 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.073 |
Average: |
27.2 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.073 |
18 |
42 |
|
[MG]C:303 |
1 |
1 |
98 |
◊ |
[N7E]C:302 |
x,y,z |
1_555 |
2 |
1 |
641 |
25.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.034 |
43 |
|
[MG]A:303 |
1 |
1 |
98 |
◊ |
[N7E]A:302 |
x,y,z |
1_555 |
3 |
1 |
635 |
23.6 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.034 |
44 |
|
[MG]D:303 |
1 |
1 |
98 |
◊ |
[N7E]D:302 |
x,y,z |
1_555 |
3 |
1 |
641 |
23.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.034 |
45 |
|
[MG]B:303 |
1 |
1 |
98 |
◊ |
[N7E]B:302 |
x,y,z |
1_555 |
2 |
1 |
639 |
22.7 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.034 |
Average: |
23.6 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.034 |
19 |
46 |
|
B |
7 |
3 |
13167 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
1 |
13231 |
19.8 |
0.4 |
0.751 |
0 |
0 |
0 |
0.000 |
20 |
47 |
|
D |
2 |
1 |
13231 |
x |
D |
x-1,y,z |
1_455 |
3 |
1 |
13231 |
10.6 |
0.1 |
0.622 |
0 |
0 |
0 |
0.000 |
21 |
48 |
|
[ADP]C:301 |
1 |
1 |
570 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
13239 |
9.6 |
-0.7 |
0.297 |
0 |
0 |
0 |
0.012 |
49 |
|
[ADP]A:301 |
1 |
1 |
568 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
13198 |
9.2 |
-0.7 |
0.301 |
0 |
0 |
0 |
0.012 |
50 |
|
[ADP]D:301 |
1 |
1 |
569 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
13167 |
8.6 |
-0.6 |
0.304 |
0 |
0 |
0 |
0.012 |
51 |
|
[ADP]B:301 |
1 |
1 |
568 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
13231 |
8.4 |
-0.6 |
0.306 |
0 |
0 |
0 |
0.012 |
Average: |
9.0 |
-0.7 |
0.302 |
0 |
0 |
0 |
0.012 |
22 |
52 |
|
A |
3 |
1 |
13239 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
13198 |
5.3 |
0.1 |
0.729 |
0 |
0 |
0 |
0.000 |
23 |
53 |
|
C |
1 |
1 |
13198 |
◊ |
[N7E]C:302 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
641 |
1.8 |
-0.1 |
0.566 |
0 |
0 |
0 |
0.000 |
|