| ## |
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 |
434 |
111 |
23626 |
◊ |
A |
x,y,z |
1_555 |
435 |
113 |
23636 |
4300.9 |
-36.1 |
0.017 |
65 |
34 |
0 |
0.709 |
2 |
|
D |
426 |
112 |
23622 |
◊ |
C |
x,y,z |
1_555 |
437 |
113 |
23695 |
4296.3 |
-39.7 |
0.012 |
71 |
41 |
0 |
0.709 |
| Average: |
4298.6 |
-37.9 |
0.015 |
68 |
38 |
0 |
0.709 |
| 2 |
3 |
|
A |
65 |
20 |
23636 |
◊ |
D |
x-1,y,z |
1_455 |
59 |
21 |
23622 |
539.8 |
1.3 |
0.706 |
8 |
3 |
0 |
0.000 |
4 |
|
C |
68 |
21 |
23695 |
◊ |
B |
x,y,z |
1_555 |
54 |
19 |
23626 |
504.5 |
-0.8 |
0.554 |
8 |
3 |
0 |
0.000 |
| Average: |
522.2 |
0.3 |
0.630 |
8 |
3 |
0 |
0.000 |
| 3 |
5 |
|
[XAH]C:1201 |
33 |
1 |
687 |
f |
C |
x,y,z |
1_555 |
75 |
30 |
23695 |
487.0 |
2.2 |
0.544 |
13 |
0 |
0 |
0.072 |
6 |
|
[XAH]A:1001 |
33 |
1 |
691 |
f |
A |
x,y,z |
1_555 |
74 |
29 |
23636 |
482.3 |
2.5 |
0.548 |
13 |
0 |
0 |
0.072 |
7 |
|
[XAH]B:1101 |
33 |
1 |
685 |
f |
B |
x,y,z |
1_555 |
72 |
30 |
23626 |
476.0 |
2.4 |
0.555 |
15 |
0 |
0 |
0.072 |
8 |
|
[XAH]D:1301 |
33 |
1 |
689 |
f |
D |
x,y,z |
1_555 |
68 |
29 |
23622 |
471.0 |
2.7 |
0.571 |
13 |
0 |
0 |
0.072 |
| Average: |
479.1 |
2.4 |
0.555 |
14 |
0 |
0 |
0.072 |
| 4 |
9 |
|
C |
52 |
17 |
23695 |
◊ |
B |
x,y-1,z |
1_545 |
51 |
17 |
23626 |
397.2 |
3.1 |
0.832 |
9 |
4 |
0 |
0.000 |
10 |
|
A |
51 |
17 |
23636 |
◊ |
D |
x-1,y+1,z |
1_465 |
42 |
17 |
23622 |
380.0 |
2.1 |
0.762 |
8 |
4 |
0 |
0.000 |
| Average: |
388.6 |
2.6 |
0.797 |
9 |
4 |
0 |
0.000 |
| 5 |
11 |
|
D |
34 |
10 |
23622 |
◊ |
C |
-x+3,y-1/2,-z+1 |
2_846 |
40 |
14 |
23695 |
326.7 |
-0.9 |
0.521 |
7 |
0 |
0 |
0.000 |
12 |
|
A |
37 |
13 |
23636 |
◊ |
B |
-x+2,y-1/2,-z |
2_745 |
36 |
9 |
23626 |
317.8 |
-1.8 |
0.408 |
7 |
0 |
0 |
0.000 |
| Average: |
322.3 |
-1.3 |
0.464 |
7 |
0 |
0 |
0.000 |
| 6 |
13 |
|
A |
35 |
17 |
23636 |
◊ |
C |
x-1,y,z |
1_455 |
41 |
16 |
23695 |
292.5 |
3.7 |
0.861 |
4 |
3 |
0 |
0.000 |
14 |
|
C |
30 |
14 |
23695 |
◊ |
A |
x,y,z |
1_555 |
40 |
16 |
23636 |
286.4 |
3.4 |
0.861 |
6 |
2 |
0 |
0.000 |
| Average: |
289.4 |
3.6 |
0.861 |
5 |
3 |
0 |
0.000 |
| 7 |
15 |
|
D |
31 |
7 |
23622 |
◊ |
B |
-x+3,y-1/2,-z+1 |
2_846 |
42 |
8 |
23626 |
282.8 |
-1.6 |
0.448 |
4 |
2 |
0 |
0.000 |
16 |
|
D |
40 |
6 |
23622 |
◊ |
B |
-x+3,y-1/2,-z |
2_845 |
29 |
7 |
23626 |
273.2 |
-1.4 |
0.451 |
4 |
3 |
0 |
0.000 |
| Average: |
278.0 |
-1.5 |
0.449 |
4 |
3 |
0 |
0.000 |
| 8 |
17 |
|
C |
37 |
12 |
23695 |
◊ |
B |
-x+2,y-1/2,-z+1 |
2_746 |
33 |
11 |
23626 |
258.3 |
-3.2 |
0.258 |
2 |
0 |
0 |
0.000 |
18 |
|
D |
32 |
11 |
23622 |
◊ |
A |
-x+2,y-1/2,-z |
2_745 |
37 |
13 |
23636 |
234.9 |
-1.5 |
0.409 |
2 |
0 |
0 |
0.000 |
| Average: |
246.6 |
-2.4 |
0.334 |
2 |
0 |
0 |
0.000 |
| 9 |
19 |
|
[1PE]C:1202 |
16 |
1 |
483 |
f |
C |
x,y,z |
1_555 |
26 |
7 |
23695 |
195.5 |
-0.9 |
0.483 |
3 |
0 |
0 |
0.020 |
20 |
|
[1PE]A:494 |
13 |
1 |
475 |
f |
A |
x,y,z |
1_555 |
23 |
6 |
23636 |
186.0 |
-0.5 |
0.516 |
3 |
0 |
0 |
0.020 |
| Average: |
190.7 |
-0.7 |
0.499 |
3 |
0 |
0 |
0.020 |
| 10 |
21 |
|
[1PE]B:494 |
15 |
1 |
488 |
f |
A |
x,y,z |
1_555 |
20 |
6 |
23636 |
184.1 |
-0.9 |
0.549 |
4 |
0 |
0 |
0.026 |
| 11 |
22 |
|
[1PE]C:494 |
14 |
1 |
487 |
◊ |
C |
x,y,z |
1_555 |
20 |
6 |
23695 |
184.0 |
0.0 |
0.650 |
3 |
0 |
0 |
0.012 |
| 12 |
23 |
|
A |
18 |
5 |
23636 |
◊ |
B |
-x+2,y-1/2,-z+1 |
2_746 |
22 |
6 |
23626 |
146.4 |
1.8 |
0.795 |
0 |
0 |
0 |
0.000 |
24 |
|
D |
22 |
7 |
23622 |
◊ |
C |
-x+3,y-1/2,-z |
2_845 |
16 |
6 |
23695 |
131.0 |
0.4 |
0.642 |
0 |
0 |
0 |
0.000 |
| Average: |
138.7 |
1.1 |
0.718 |
0 |
0 |
0 |
0.000 |
| 13 |
25 |
|
[1PE]C:494 |
10 |
1 |
487 |
f |
D |
x,y,z |
1_555 |
22 |
6 |
23622 |
132.0 |
-1.0 |
0.511 |
2 |
0 |
0 |
0.017 |
| 14 |
26 |
|
[1PE]B:494 |
10 |
1 |
488 |
◊ |
B |
x,y,z |
1_555 |
20 |
6 |
23626 |
129.9 |
-1.0 |
0.476 |
3 |
0 |
0 |
0.022 |
| 15 |
27 |
|
A |
15 |
6 |
23636 |
◊ |
B |
x,y-1,z |
1_545 |
13 |
5 |
23626 |
121.2 |
1.0 |
0.735 |
2 |
2 |
0 |
0.000 |
28 |
|
D |
15 |
6 |
23622 |
◊ |
C |
x,y-1,z |
1_545 |
10 |
4 |
23695 |
104.8 |
-0.0 |
0.525 |
0 |
0 |
0 |
0.000 |
| Average: |
113.0 |
0.5 |
0.630 |
1 |
1 |
0 |
0.000 |
| 16 |
29 |
|
[1PE]C:1202 |
11 |
1 |
483 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
23622 |
107.5 |
-0.5 |
0.573 |
0 |
0 |
0 |
0.012 |
30 |
|
[1PE]A:494 |
10 |
1 |
475 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
23626 |
97.3 |
-0.8 |
0.521 |
1 |
0 |
0 |
0.012 |
| Average: |
102.4 |
-0.7 |
0.547 |
1 |
0 |
0 |
0.012 |
| 17 |
31 |
|
D |
16 |
4 |
23622 |
◊ |
B |
x,y-1,z |
1_545 |
11 |
4 |
23626 |
91.9 |
0.6 |
0.699 |
0 |
3 |
0 |
0.000 |
32 |
|
B |
15 |
5 |
23626 |
◊ |
D |
x-1,y+1,z |
1_465 |
15 |
6 |
23622 |
86.8 |
0.7 |
0.700 |
0 |
0 |
0 |
0.000 |
| Average: |
89.3 |
0.6 |
0.700 |
0 |
2 |
0 |
0.000 |
| 18 |
33 |
|
C |
11 |
3 |
23695 |
◊ |
B |
-x+2,y-1/2,-z |
2_745 |
14 |
6 |
23626 |
86.2 |
-0.8 |
0.429 |
0 |
0 |
0 |
0.000 |
34 |
|
D |
11 |
5 |
23622 |
◊ |
A |
-x+2,y-1/2,-z+1 |
2_746 |
7 |
2 |
23636 |
73.0 |
1.2 |
0.756 |
0 |
0 |
0 |
0.000 |
| Average: |
79.6 |
0.2 |
0.592 |
0 |
0 |
0 |
0.000 |
| 19 |
35 |
|
D |
9 |
4 |
23622 |
◊ |
A |
x,y,z |
1_555 |
9 |
2 |
23636 |
71.0 |
-0.4 |
0.492 |
1 |
0 |
0 |
0.000 |
36 |
|
B |
5 |
2 |
23626 |
◊ |
C |
x-1,y,z |
1_455 |
12 |
2 |
23695 |
54.9 |
-0.5 |
0.450 |
0 |
0 |
0 |
0.000 |
| Average: |
62.9 |
-0.4 |
0.471 |
1 |
0 |
0 |
0.000 |
| 20 |
37 |
|
[MG]C:1200 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
23695 |
43.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.116 |
38 |
|
[MG]A:1000 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
23636 |
43.3 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.116 |
39 |
|
[MG]D:1300 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
23622 |
43.1 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.116 |
40 |
|
[MG]B:1100 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
23626 |
42.2 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.116 |
| Average: |
43.0 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.116 |
| 21 |
41 |
|
[XAH]B:1101 |
6 |
1 |
685 |
f |
[MG]B:1100 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.9 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.067 |
42 |
|
[XAH]C:1201 |
6 |
1 |
687 |
f |
[MG]C:1200 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.8 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.067 |
43 |
|
[XAH]D:1301 |
6 |
1 |
689 |
f |
[MG]D:1300 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.067 |
44 |
|
[XAH]A:1001 |
6 |
1 |
691 |
f |
[MG]A:1000 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.067 |
| Average: |
33.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.067 |
| 22 |
45 |
|
C |
2 |
1 |
23695 |
◊ |
A |
-x+2,y-1/2,-z |
2_745 |
7 |
2 |
23636 |
29.3 |
0.9 |
0.779 |
0 |
0 |
0 |
0.000 |
46 |
|
C |
1 |
1 |
23695 |
◊ |
A |
-x+2,y-1/2,-z+1 |
2_746 |
3 |
1 |
23636 |
6.3 |
0.3 |
0.781 |
0 |
0 |
0 |
0.000 |
| Average: |
17.8 |
0.6 |
0.780 |
0 |
0 |
0 |
0.000 |
| 23 |
47 |
|
A |
1 |
1 |
23636 |
◊ |
[1PE]C:494 |
x-1,y,z |
1_455 |
2 |
1 |
487 |
9.5 |
-0.0 |
0.665 |
0 |
0 |
0 |
0.000 |
| 24 |
48 |
|
C |
1 |
1 |
23695 |
x |
C |
x,y-1,z |
1_545 |
2 |
1 |
23695 |
9.5 |
0.0 |
0.577 |
0 |
0 |
0 |
0.000 |
49 |
|
A |
1 |
1 |
23636 |
x |
A |
x,y-1,z |
1_545 |
1 |
1 |
23636 |
0.4 |
-0.0 |
0.614 |
0 |
0 |
0 |
0.000 |
| Average: |
5.0 |
0.0 |
0.596 |
0 |
0 |
0 |
0.000 |
| 25 |
50 |
|
[1PE]B:494 |
2 |
1 |
488 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
23695 |
5.2 |
0.0 |
0.693 |
0 |
0 |
0 |
0.000 |
| 26 |
51 |
|
C |
1 |
1 |
23695 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
23622 |
1.3 |
0.0 |
0.717 |
0 |
0 |
0 |
0.000 |
|