## |
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 |
416 |
118 |
18175 |
◊ |
A |
x,y,z |
1_555 |
410 |
115 |
19439 |
3936.5 |
-53.8 |
0.048 |
66 |
7 |
0 |
0.717 |
2 |
|
D |
407 |
113 |
18078 |
◊ |
C |
x,y,z |
1_555 |
411 |
116 |
18686 |
3862.5 |
-55.7 |
0.025 |
69 |
6 |
0 |
0.717 |
Average: |
3899.5 |
-54.8 |
0.036 |
68 |
7 |
0 |
0.717 |
2 |
3 |
|
C |
120 |
38 |
18686 |
◊ |
B |
x,y,z |
1_555 |
123 |
37 |
18175 |
1204.2 |
-16.5 |
0.122 |
17 |
12 |
0 |
0.497 |
4 |
|
D |
122 |
40 |
18078 |
◊ |
A |
x,y,z |
1_555 |
123 |
38 |
19439 |
1193.3 |
-16.5 |
0.125 |
16 |
9 |
0 |
0.497 |
Average: |
1198.8 |
-16.5 |
0.123 |
17 |
11 |
0 |
0.497 |
3 |
5 |
|
D |
65 |
22 |
18078 |
◊ |
B |
x,y,z |
1_555 |
64 |
23 |
18175 |
613.6 |
-12.5 |
0.046 |
3 |
0 |
0 |
0.085 |
6 |
|
C |
57 |
21 |
18686 |
◊ |
A |
x,y,z |
1_555 |
58 |
21 |
19439 |
590.6 |
-12.7 |
0.030 |
3 |
0 |
0 |
0.085 |
Average: |
602.1 |
-12.6 |
0.038 |
3 |
0 |
0 |
0.085 |
4 |
7 |
|
[117]A:2 |
37 |
1 |
795 |
f |
B |
x,y,z |
1_555 |
47 |
16 |
18175 |
385.3 |
-5.9 |
0.520 |
4 |
0 |
0 |
0.291 |
8 |
|
[117]C:4 |
36 |
1 |
798 |
f |
D |
x,y,z |
1_555 |
46 |
16 |
18078 |
383.0 |
-6.2 |
0.465 |
4 |
0 |
0 |
0.291 |
9 |
|
[117]D:3 |
36 |
1 |
799 |
f |
C |
x,y,z |
1_555 |
42 |
16 |
18686 |
381.3 |
-5.7 |
0.462 |
4 |
0 |
0 |
0.291 |
10 |
|
[117]B:1 |
35 |
1 |
796 |
f |
A |
x,y,z |
1_555 |
48 |
16 |
19439 |
377.4 |
-6.0 |
0.503 |
4 |
0 |
0 |
0.291 |
Average: |
381.7 |
-5.9 |
0.488 |
4 |
0 |
0 |
0.291 |
5 |
11 |
|
[ADP]B:104 |
25 |
1 |
565 |
f |
B |
x,y,z |
1_555 |
44 |
20 |
18175 |
343.7 |
-5.2 |
0.561 |
9 |
0 |
0 |
0.176 |
6 |
12 |
|
[ADP]A:103 |
25 |
1 |
561 |
f |
A |
x,y,z |
1_555 |
43 |
19 |
19439 |
338.6 |
-6.0 |
0.530 |
6 |
0 |
0 |
0.299 |
13 |
|
[ADP]D:105 |
26 |
1 |
558 |
f |
D |
x,y,z |
1_555 |
44 |
19 |
18078 |
334.7 |
-5.8 |
0.550 |
9 |
0 |
0 |
0.299 |
Average: |
336.7 |
-5.9 |
0.540 |
8 |
0 |
0 |
0.299 |
7 |
14 |
|
D |
30 |
8 |
18078 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
34 |
12 |
18175 |
300.6 |
0.5 |
0.776 |
8 |
2 |
0 |
0.000 |
8 |
15 |
|
[117]C:4 |
16 |
1 |
798 |
◊ |
C |
x,y,z |
1_555 |
25 |
12 |
18686 |
207.9 |
-0.6 |
0.677 |
9 |
0 |
0 |
0.075 |
16 |
|
[117]A:2 |
17 |
1 |
795 |
◊ |
A |
x,y,z |
1_555 |
24 |
11 |
19439 |
206.4 |
-0.6 |
0.695 |
8 |
0 |
0 |
0.075 |
17 |
|
[117]D:3 |
16 |
1 |
799 |
◊ |
D |
x,y,z |
1_555 |
25 |
12 |
18078 |
206.0 |
-0.6 |
0.669 |
9 |
0 |
0 |
0.075 |
18 |
|
[117]B:1 |
16 |
1 |
796 |
◊ |
B |
x,y,z |
1_555 |
23 |
12 |
18175 |
204.7 |
-1.3 |
0.645 |
7 |
0 |
0 |
0.075 |
Average: |
206.2 |
-0.8 |
0.672 |
8 |
0 |
0 |
0.075 |
9 |
19 |
|
B |
26 |
8 |
18175 |
◊ |
D |
x,y,z-1 |
1_554 |
20 |
4 |
18078 |
196.1 |
1.0 |
0.800 |
3 |
0 |
0 |
0.000 |
10 |
20 |
|
[ADP]A:102 |
20 |
1 |
541 |
f |
A |
x,y,z |
1_555 |
28 |
9 |
19439 |
181.1 |
-1.9 |
0.681 |
2 |
0 |
0 |
0.045 |
11 |
21 |
|
[ADP]A:101 |
21 |
1 |
516 |
f |
B |
x,y,z |
1_555 |
23 |
8 |
18175 |
172.5 |
-1.4 |
0.659 |
2 |
0 |
0 |
0.044 |
12 |
22 |
|
[ADP]A:101 |
13 |
1 |
516 |
◊ |
A |
x,y,z |
1_555 |
13 |
3 |
19439 |
127.4 |
1.1 |
0.623 |
1 |
0 |
0 |
0.000 |
13 |
23 |
|
[ADP]A:102 |
15 |
1 |
541 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
18175 |
127.0 |
1.9 |
0.699 |
1 |
0 |
0 |
0.000 |
14 |
24 |
|
D |
17 |
3 |
18078 |
◊ |
B |
x-1,y,z |
1_455 |
11 |
3 |
18175 |
111.4 |
-1.2 |
0.336 |
1 |
0 |
0 |
0.000 |
15 |
25 |
|
C |
5 |
2 |
18686 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
8 |
4 |
19439 |
46.4 |
1.4 |
0.838 |
3 |
3 |
0 |
0.000 |
16 |
26 |
|
C |
3 |
1 |
18686 |
x |
C |
x-1,y,z-1 |
1_454 |
6 |
3 |
18686 |
36.4 |
-0.8 |
0.289 |
0 |
0 |
0 |
0.000 |
17 |
27 |
|
[ADP]A:102 |
6 |
1 |
541 |
◊ |
D |
x-1,y,z-1 |
1_454 |
4 |
1 |
18078 |
26.8 |
-1.4 |
0.389 |
0 |
0 |
0 |
0.000 |
18 |
28 |
|
D |
3 |
2 |
18078 |
◊ |
C |
x-1,y,z |
1_455 |
3 |
2 |
18686 |
26.5 |
0.1 |
0.468 |
0 |
0 |
0 |
0.000 |
19 |
29 |
|
[117]B:1 |
3 |
1 |
796 |
f |
[ADP]A:102 |
x,y,z |
1_555 |
6 |
1 |
541 |
23.0 |
0.3 |
0.654 |
0 |
0 |
0 |
0.000 |
20 |
30 |
|
[117]A:2 |
2 |
1 |
795 |
f |
[ADP]A:101 |
x,y,z |
1_555 |
6 |
1 |
516 |
21.2 |
0.4 |
0.649 |
0 |
0 |
0 |
0.000 |
21 |
31 |
|
C |
2 |
1 |
18686 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
3 |
1 |
18175 |
18.0 |
0.0 |
0.544 |
0 |
0 |
0 |
0.000 |
22 |
32 |
|
D |
1 |
1 |
18078 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
1 |
1 |
19439 |
3.5 |
0.1 |
0.783 |
0 |
0 |
0 |
0.000 |
23 |
33 |
|
B |
1 |
1 |
18175 |
◊ |
C |
x-1,y,z-1 |
1_454 |
1 |
1 |
18686 |
1.1 |
0.0 |
0.623 |
0 |
0 |
0 |
0.000 |
24 |
34 |
|
A |
1 |
1 |
19439 |
◊ |
D |
x-1,y,z-1 |
1_454 |
1 |
1 |
18078 |
0.6 |
-0.0 |
0.618 |
0 |
0 |
0 |
0.000 |
|