| ## |
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 |
|
A |
77 |
21 |
12939 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
70 |
23 |
12872 |
652.8 |
-3.9 |
0.415 |
3 |
2 |
0 |
0.000 |
2 |
|
D |
67 |
21 |
12682 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
71 |
21 |
12782 |
638.7 |
-3.0 |
0.441 |
3 |
3 |
0 |
0.000 |
| Average: |
645.8 |
-3.5 |
0.428 |
3 |
3 |
0 |
0.000 |
| 2 |
3 |
|
[ADP]B:401 |
27 |
1 |
553 |
f |
B |
x,y,z |
1_555 |
52 |
22 |
12872 |
405.7 |
-3.9 |
0.667 |
6 |
0 |
0 |
0.038 |
4 |
|
[ADP]D:403 |
27 |
1 |
554 |
f |
D |
x,y,z |
1_555 |
49 |
23 |
12682 |
399.3 |
-3.6 |
0.658 |
7 |
0 |
0 |
0.038 |
5 |
|
[ADP]C:402 |
27 |
1 |
548 |
f |
C |
x,y,z |
1_555 |
47 |
24 |
12782 |
365.2 |
-2.5 |
0.652 |
7 |
0 |
0 |
0.038 |
6 |
|
[ADP]A:400 |
27 |
1 |
546 |
f |
A |
x,y,z |
1_555 |
44 |
22 |
12939 |
357.2 |
-2.1 |
0.634 |
6 |
0 |
0 |
0.038 |
| Average: |
381.8 |
-3.0 |
0.653 |
7 |
0 |
0 |
0.038 |
| 3 |
7 |
|
C |
33 |
9 |
12782 |
◊ |
B |
x-1,y,z-1 |
1_454 |
43 |
11 |
12872 |
345.8 |
0.2 |
0.542 |
2 |
5 |
0 |
0.000 |
8 |
|
D |
42 |
10 |
12682 |
◊ |
A |
x-1,y,z |
1_455 |
35 |
9 |
12939 |
331.3 |
-0.7 |
0.492 |
1 |
3 |
0 |
0.000 |
| Average: |
338.5 |
-0.2 |
0.517 |
2 |
4 |
0 |
0.000 |
| 4 |
9 |
|
B |
31 |
6 |
12872 |
◊ |
A |
x,y,z |
1_555 |
39 |
14 |
12939 |
312.0 |
-1.3 |
0.352 |
1 |
1 |
0 |
0.000 |
10 |
|
D |
31 |
6 |
12682 |
◊ |
C |
x,y,z |
1_555 |
34 |
12 |
12782 |
278.6 |
-2.5 |
0.270 |
1 |
1 |
0 |
0.000 |
| Average: |
295.3 |
-1.9 |
0.311 |
1 |
1 |
0 |
0.000 |
| 5 |
11 |
|
A |
30 |
11 |
12939 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
32 |
10 |
12782 |
309.7 |
-2.8 |
0.299 |
3 |
0 |
0 |
0.000 |
12 |
|
A |
35 |
10 |
12939 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
30 |
11 |
12782 |
307.5 |
-4.2 |
0.187 |
3 |
0 |
0 |
0.000 |
| Average: |
308.6 |
-3.5 |
0.243 |
3 |
0 |
0 |
0.000 |
| 6 |
13 |
|
B |
25 |
7 |
12872 |
◊ |
A |
x-1,y,z |
1_455 |
32 |
12 |
12939 |
265.7 |
-1.3 |
0.390 |
0 |
0 |
0 |
0.000 |
14 |
|
C |
33 |
13 |
12782 |
◊ |
D |
x-1,y,z |
1_455 |
25 |
8 |
12682 |
262.0 |
-1.1 |
0.464 |
1 |
0 |
0 |
0.000 |
| Average: |
263.8 |
-1.2 |
0.427 |
1 |
0 |
0 |
0.000 |
| 7 |
15 |
|
A |
8 |
4 |
12939 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
4 |
12682 |
99.5 |
0.5 |
0.725 |
1 |
0 |
0 |
0.000 |
16 |
|
B |
9 |
3 |
12872 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
6 |
4 |
12782 |
80.9 |
-0.1 |
0.617 |
0 |
0 |
0 |
0.000 |
| Average: |
90.2 |
0.2 |
0.671 |
1 |
0 |
0 |
0.000 |
| 8 |
17 |
|
B |
10 |
5 |
12872 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
17 |
5 |
12682 |
95.7 |
0.5 |
0.650 |
0 |
2 |
0 |
0.000 |
18 |
|
B |
15 |
5 |
12872 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
9 |
4 |
12682 |
91.4 |
0.2 |
0.656 |
1 |
2 |
0 |
0.000 |
| Average: |
93.5 |
0.3 |
0.653 |
1 |
2 |
0 |
0.000 |
| 9 |
19 |
|
[MG]D:407 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
12682 |
43.4 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.031 |
20 |
|
[MG]B:405 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
12872 |
43.1 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.031 |
21 |
|
[MG]C:406 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
12782 |
39.2 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.031 |
22 |
|
[MG]A:404 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
12939 |
30.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.031 |
| Average: |
39.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.031 |
| 10 |
23 |
|
[ADP]A:400 |
4 |
1 |
546 |
f |
[MG]A:404 |
x,y,z |
1_555 |
1 |
1 |
98 |
38.0 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.044 |
24 |
|
[ADP]C:402 |
6 |
1 |
548 |
f |
[MG]C:406 |
x,y,z |
1_555 |
1 |
1 |
98 |
36.3 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.044 |
25 |
|
[ADP]D:403 |
6 |
1 |
554 |
f |
[MG]D:407 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.7 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.044 |
26 |
|
[ADP]B:401 |
6 |
1 |
553 |
f |
[MG]B:405 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.5 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.044 |
| Average: |
35.4 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.044 |
| 11 |
27 |
|
B |
3 |
1 |
12872 |
x |
B |
x-1,y,z |
1_455 |
5 |
2 |
12872 |
30.6 |
1.0 |
0.846 |
0 |
0 |
0 |
0.000 |
28 |
|
D |
3 |
1 |
12682 |
x |
D |
x-1,y,z |
1_455 |
2 |
1 |
12682 |
22.0 |
0.4 |
0.799 |
0 |
0 |
0 |
0.000 |
| Average: |
26.3 |
0.7 |
0.822 |
0 |
0 |
0 |
0.000 |
| 12 |
29 |
|
[ADP]D:403 |
1 |
1 |
554 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
3 |
2 |
12782 |
5.9 |
-0.2 |
0.435 |
0 |
0 |
0 |
0.000 |
30 |
|
A |
3 |
2 |
12939 |
◊ |
[ADP]B:401 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
553 |
3.8 |
-0.1 |
0.477 |
0 |
0 |
0 |
0.000 |
| Average: |
4.9 |
-0.2 |
0.456 |
0 |
0 |
0 |
0.000 |
|