## |
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 |
172 |
46 |
13948 |
◊ |
A |
x,y,z |
1_555 |
171 |
48 |
14608 |
1509.3 |
-9.3 |
0.406 |
23 |
3 |
0 |
0.330 |
2 |
|
D |
175 |
49 |
13978 |
◊ |
C |
x,y,z |
1_555 |
163 |
46 |
13729 |
1489.1 |
-7.7 |
0.465 |
22 |
2 |
0 |
0.330 |
Average: |
1499.2 |
-8.5 |
0.435 |
23 |
3 |
0 |
0.330 |
2 |
3 |
|
C |
110 |
35 |
13729 |
◊ |
A |
x,y-1,z |
1_545 |
106 |
30 |
14608 |
999.1 |
0.6 |
0.794 |
10 |
4 |
0 |
0.000 |
3 |
4 |
|
A |
70 |
20 |
14608 |
◊ |
B |
x,y,z-1 |
1_554 |
70 |
22 |
13948 |
632.2 |
-4.1 |
0.417 |
6 |
1 |
0 |
0.000 |
4 |
5 |
|
C |
56 |
19 |
13729 |
◊ |
A |
x,y,z |
1_555 |
71 |
25 |
14608 |
565.1 |
-2.0 |
0.544 |
6 |
1 |
0 |
0.000 |
5 |
6 |
|
B |
65 |
18 |
13948 |
◊ |
A |
x-1,y,z |
1_455 |
53 |
19 |
14608 |
501.1 |
-4.0 |
0.367 |
7 |
1 |
0 |
0.000 |
7 |
|
D |
38 |
9 |
13978 |
◊ |
C |
x-1,y,z |
1_455 |
37 |
15 |
13729 |
299.8 |
-0.7 |
0.596 |
3 |
0 |
0 |
0.000 |
Average: |
400.5 |
-2.4 |
0.482 |
5 |
1 |
0 |
0.000 |
6 |
8 |
|
C |
54 |
15 |
13729 |
◊ |
B |
x,y,z |
1_555 |
58 |
19 |
13948 |
485.1 |
1.6 |
0.763 |
5 |
0 |
0 |
0.000 |
7 |
9 |
|
D |
53 |
18 |
13978 |
◊ |
A |
x,y,z |
1_555 |
51 |
16 |
14608 |
428.6 |
1.0 |
0.751 |
1 |
0 |
0 |
0.000 |
8 |
10 |
|
[ADP]A:500 |
27 |
1 |
547 |
f |
A |
x,y,z |
1_555 |
53 |
19 |
14608 |
377.1 |
-6.2 |
0.418 |
7 |
0 |
0 |
0.306 |
11 |
|
[ADP]D:500 |
26 |
1 |
540 |
f |
D |
x,y,z |
1_555 |
55 |
22 |
13978 |
374.4 |
-5.0 |
0.499 |
8 |
0 |
0 |
0.306 |
12 |
|
[ADP]B:500 |
26 |
1 |
538 |
f |
B |
x,y,z |
1_555 |
51 |
20 |
13948 |
374.1 |
-6.1 |
0.405 |
7 |
0 |
0 |
0.306 |
13 |
|
[ADP]C:500 |
26 |
1 |
540 |
f |
C |
x,y,z |
1_555 |
53 |
20 |
13729 |
370.6 |
-5.4 |
0.406 |
5 |
0 |
0 |
0.306 |
Average: |
374.1 |
-5.7 |
0.432 |
7 |
0 |
0 |
0.306 |
9 |
14 |
|
D |
42 |
14 |
13978 |
◊ |
B |
x-1,y-1,z-1 |
1_444 |
46 |
14 |
13948 |
328.7 |
0.1 |
0.713 |
1 |
1 |
0 |
0.000 |
10 |
15 |
|
D |
30 |
10 |
13978 |
◊ |
A |
x-1,y,z |
1_455 |
28 |
7 |
14608 |
281.3 |
-1.0 |
0.545 |
3 |
0 |
0 |
0.000 |
11 |
16 |
|
D |
24 |
9 |
13978 |
◊ |
B |
x,y-1,z-1 |
1_544 |
28 |
10 |
13948 |
204.9 |
2.4 |
0.882 |
4 |
3 |
0 |
0.000 |
12 |
17 |
|
C |
16 |
5 |
13729 |
◊ |
B |
x,y-1,z-1 |
1_544 |
21 |
9 |
13948 |
159.6 |
-3.1 |
0.167 |
0 |
0 |
0 |
0.000 |
18 |
|
D |
14 |
7 |
13978 |
◊ |
A |
x-1,y-1,z-1 |
1_444 |
17 |
5 |
14608 |
155.1 |
-3.6 |
0.088 |
0 |
0 |
0 |
0.000 |
Average: |
157.3 |
-3.4 |
0.127 |
0 |
0 |
0 |
0.000 |
13 |
19 |
|
C |
15 |
7 |
13729 |
◊ |
B |
x,y-1,z |
1_545 |
14 |
3 |
13948 |
109.7 |
1.2 |
0.811 |
0 |
0 |
0 |
0.000 |
14 |
20 |
|
D |
13 |
5 |
13978 |
◊ |
C |
x-1,y,z-1 |
1_454 |
10 |
3 |
13729 |
88.1 |
1.4 |
0.837 |
1 |
0 |
0 |
0.000 |
15 |
21 |
|
B |
5 |
2 |
13948 |
x |
B |
x-1,y,z |
1_455 |
8 |
3 |
13948 |
63.5 |
-0.6 |
0.279 |
0 |
0 |
0 |
0.000 |
22 |
|
D |
5 |
3 |
13978 |
x |
D |
x-1,y,z |
1_455 |
8 |
3 |
13978 |
45.7 |
-0.2 |
0.475 |
1 |
1 |
0 |
0.000 |
Average: |
54.6 |
-0.4 |
0.377 |
1 |
1 |
0 |
0.000 |
16 |
23 |
|
[MG]B:400 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
13948 |
47.7 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.188 |
24 |
|
[MG]A:400 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
14608 |
46.9 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.188 |
25 |
|
[MG]D:400 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
6 |
13978 |
45.8 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.188 |
26 |
|
[MG]C:400 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
7 |
13729 |
42.7 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.188 |
Average: |
45.8 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.188 |
17 |
27 |
|
[ADP]C:500 |
5 |
1 |
540 |
f |
[MG]C:400 |
x,y,z |
1_555 |
1 |
1 |
98 |
36.5 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.205 |
28 |
|
[ADP]D:500 |
5 |
1 |
540 |
f |
[MG]D:400 |
x,y,z |
1_555 |
1 |
1 |
98 |
36.4 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.205 |
29 |
|
[ADP]A:500 |
4 |
1 |
547 |
f |
[MG]A:400 |
x,y,z |
1_555 |
1 |
1 |
98 |
36.2 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.205 |
30 |
|
[ADP]B:500 |
4 |
1 |
538 |
f |
[MG]B:400 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.3 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.205 |
Average: |
35.9 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.205 |
18 |
31 |
|
D |
3 |
2 |
13978 |
◊ |
C |
x,y,z-1 |
1_554 |
4 |
2 |
13729 |
23.9 |
0.0 |
0.491 |
0 |
0 |
0 |
0.000 |
19 |
32 |
|
D |
1 |
1 |
13978 |
◊ |
B |
x,y,z-1 |
1_554 |
2 |
1 |
13948 |
15.4 |
-0.1 |
0.347 |
0 |
0 |
0 |
0.000 |
20 |
33 |
|
D |
1 |
1 |
13978 |
◊ |
B |
x-1,y,z-1 |
1_454 |
1 |
1 |
13948 |
3.5 |
0.1 |
0.778 |
0 |
0 |
0 |
0.000 |
|