## |
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 |
|
C |
157 |
11 |
2563 |
◊ |
A |
x,y,z |
1_555 |
163 |
11 |
2802 |
1150.3 |
-50.7 |
0.161 |
0 |
0 |
0 |
0.000 |
2 |
|
B |
157 |
11 |
2562 |
◊ |
D |
x,y,z |
1_555 |
161 |
11 |
2798 |
1149.8 |
-50.8 |
0.156 |
0 |
0 |
0 |
0.000 |
Average: |
1150.0 |
-50.7 |
0.158 |
0 |
0 |
0 |
0.000 |
2 |
3 |
|
D |
71 |
11 |
2798 |
◊ |
A |
x,y,z |
1_555 |
71 |
11 |
2802 |
358.7 |
0.5 |
0.994 |
0 |
0 |
0 |
0.000 |
3 |
4 |
|
B |
54 |
11 |
2562 |
◊ |
A |
x,y,z |
1_555 |
61 |
11 |
2802 |
296.2 |
-4.1 |
0.919 |
22 |
0 |
0 |
0.000 |
5 |
|
C |
55 |
11 |
2563 |
◊ |
D |
x,y,z |
1_555 |
61 |
11 |
2798 |
295.0 |
-4.2 |
0.920 |
22 |
0 |
0 |
0.000 |
Average: |
295.6 |
-4.1 |
0.919 |
22 |
0 |
0 |
0.000 |
4 |
6 |
|
C |
43 |
11 |
2563 |
◊ |
B |
x,y,z |
1_555 |
43 |
11 |
2562 |
214.6 |
-4.0 |
0.896 |
0 |
0 |
0 |
0.000 |
5 |
7 |
|
A |
14 |
4 |
2802 |
◊ |
D |
-y,x-y+1,z |
2_565 |
14 |
4 |
2798 |
71.1 |
-0.9 |
0.769 |
0 |
0 |
0 |
0.000 |
8 |
|
A |
13 |
3 |
2802 |
◊ |
D |
-y+1,x-y+1,z |
2_665 |
14 |
4 |
2798 |
70.9 |
-1.0 |
0.753 |
0 |
0 |
0 |
0.000 |
Average: |
71.0 |
-1.0 |
0.761 |
0 |
0 |
0 |
0.000 |
6 |
9 |
|
C |
13 |
3 |
2563 |
◊ |
D |
-y+1,x-y+1,z |
2_665 |
12 |
3 |
2798 |
61.1 |
-1.4 |
0.709 |
0 |
0 |
0 |
0.000 |
10 |
|
A |
12 |
3 |
2802 |
◊ |
B |
-y,x-y+1,z |
2_565 |
13 |
3 |
2562 |
60.4 |
-1.4 |
0.716 |
0 |
0 |
0 |
0.000 |
Average: |
60.7 |
-1.4 |
0.713 |
0 |
0 |
0 |
0.000 |
7 |
11 |
|
C |
13 |
3 |
2563 |
◊ |
D |
-y,x-y+1,z |
2_565 |
13 |
4 |
2798 |
60.4 |
-1.5 |
0.710 |
0 |
0 |
0 |
0.000 |
12 |
|
A |
12 |
3 |
2802 |
◊ |
B |
-y+1,x-y+1,z |
2_665 |
13 |
3 |
2562 |
59.2 |
-1.5 |
0.698 |
0 |
0 |
0 |
0.000 |
Average: |
59.8 |
-1.5 |
0.704 |
0 |
0 |
0 |
0.000 |
8 |
13 |
|
D |
14 |
3 |
2798 |
◊ |
D |
-y+1,x-y+1,z |
2_665 |
13 |
3 |
2798 |
54.1 |
-1.9 |
0.583 |
0 |
0 |
0 |
0.000 |
14 |
|
A |
13 |
3 |
2802 |
◊ |
A |
-y,x-y+1,z |
2_565 |
14 |
3 |
2802 |
53.9 |
-1.9 |
0.584 |
0 |
0 |
0 |
0.000 |
Average: |
54.0 |
-1.9 |
0.584 |
0 |
0 |
0 |
0.000 |
9 |
15 |
|
D |
14 |
3 |
2798 |
◊ |
B |
-y+1,x-y+1,z |
2_665 |
13 |
3 |
2562 |
52.8 |
-1.8 |
0.615 |
0 |
0 |
0 |
0.000 |
16 |
|
C |
13 |
3 |
2563 |
◊ |
A |
-y,x-y+1,z |
2_565 |
14 |
3 |
2802 |
52.7 |
-1.8 |
0.617 |
0 |
0 |
0 |
0.000 |
Average: |
52.7 |
-1.8 |
0.616 |
0 |
0 |
0 |
0.000 |
10 |
17 |
|
C |
15 |
1 |
2563 |
◊ |
A |
x,y,z-1 |
1_554 |
17 |
1 |
2802 |
51.3 |
0.8 |
0.912 |
0 |
0 |
0 |
0.000 |
18 |
|
D |
17 |
1 |
2798 |
◊ |
B |
x,y,z-1 |
1_554 |
15 |
1 |
2562 |
51.1 |
0.7 |
0.912 |
0 |
0 |
0 |
0.000 |
Average: |
51.2 |
0.8 |
0.912 |
0 |
0 |
0 |
0.000 |
11 |
19 |
|
A |
18 |
1 |
2802 |
◊ |
A |
x,y,z-1 |
1_554 |
17 |
1 |
2802 |
51.3 |
0.5 |
0.901 |
0 |
0 |
0 |
0.000 |
20 |
|
D |
17 |
1 |
2798 |
◊ |
D |
x,y,z-1 |
1_554 |
18 |
1 |
2798 |
50.9 |
0.5 |
0.902 |
0 |
0 |
0 |
0.000 |
Average: |
51.1 |
0.5 |
0.901 |
0 |
0 |
0 |
0.000 |
12 |
21 |
|
C |
11 |
2 |
2563 |
◊ |
B |
-y,x-y+1,z |
2_565 |
12 |
3 |
2562 |
50.1 |
-2.0 |
0.648 |
0 |
0 |
0 |
0.000 |
22 |
|
C |
12 |
3 |
2563 |
◊ |
B |
-y+1,x-y+1,z |
2_665 |
11 |
2 |
2562 |
49.7 |
-2.0 |
0.644 |
0 |
0 |
0 |
0.000 |
Average: |
49.9 |
-2.0 |
0.646 |
0 |
0 |
0 |
0.000 |
13 |
23 |
|
A |
13 |
3 |
2802 |
◊ |
A |
-y+1,x-y+1,z |
2_665 |
13 |
2 |
2802 |
47.6 |
-1.7 |
0.572 |
0 |
0 |
0 |
0.000 |
24 |
|
D |
12 |
2 |
2798 |
◊ |
D |
-y,x-y+1,z |
2_565 |
13 |
3 |
2798 |
47.3 |
-1.7 |
0.575 |
0 |
0 |
0 |
0.000 |
Average: |
47.4 |
-1.7 |
0.573 |
0 |
0 |
0 |
0.000 |
14 |
25 |
|
C |
13 |
3 |
2563 |
◊ |
A |
-y+1,x-y+1,z |
2_665 |
13 |
2 |
2802 |
46.6 |
-1.6 |
0.604 |
0 |
0 |
0 |
0.000 |
26 |
|
D |
12 |
2 |
2798 |
◊ |
B |
-y,x-y+1,z |
2_565 |
13 |
3 |
2562 |
46.4 |
-1.6 |
0.605 |
0 |
0 |
0 |
0.000 |
Average: |
46.5 |
-1.6 |
0.605 |
0 |
0 |
0 |
0.000 |
15 |
27 |
|
C |
14 |
1 |
2563 |
◊ |
C |
x,y,z-1 |
1_554 |
14 |
1 |
2563 |
45.5 |
0.8 |
0.900 |
0 |
0 |
0 |
0.000 |
28 |
|
B |
14 |
1 |
2562 |
◊ |
B |
x,y,z-1 |
1_554 |
14 |
1 |
2562 |
45.1 |
0.7 |
0.897 |
0 |
0 |
0 |
0.000 |
Average: |
45.3 |
0.7 |
0.899 |
0 |
0 |
0 |
0.000 |
16 |
29 |
|
A |
12 |
3 |
2802 |
◊ |
C |
-y,x-y+1,z |
2_565 |
13 |
3 |
2563 |
45.3 |
-2.0 |
0.565 |
0 |
0 |
0 |
0.000 |
30 |
|
B |
13 |
3 |
2562 |
◊ |
D |
-y+1,x-y+1,z |
2_665 |
12 |
3 |
2798 |
45.2 |
-2.0 |
0.574 |
0 |
0 |
0 |
0.000 |
Average: |
45.3 |
-2.0 |
0.570 |
0 |
0 |
0 |
0.000 |
17 |
31 |
|
C |
12 |
3 |
2563 |
◊ |
C |
-y,x-y+1,z |
2_565 |
13 |
3 |
2563 |
44.6 |
-2.0 |
0.593 |
0 |
0 |
0 |
0.000 |
32 |
|
B |
13 |
3 |
2562 |
◊ |
B |
-y+1,x-y+1,z |
2_665 |
12 |
3 |
2562 |
44.5 |
-1.9 |
0.600 |
0 |
0 |
0 |
0.000 |
Average: |
44.5 |
-1.9 |
0.597 |
0 |
0 |
0 |
0.000 |
18 |
33 |
|
A |
14 |
1 |
2802 |
◊ |
C |
x,y,z-1 |
1_554 |
14 |
1 |
2563 |
44.2 |
0.2 |
0.871 |
0 |
0 |
0 |
0.000 |
34 |
|
B |
14 |
1 |
2562 |
◊ |
D |
x,y,z-1 |
1_554 |
14 |
1 |
2798 |
44.0 |
0.2 |
0.867 |
0 |
0 |
0 |
0.000 |
Average: |
44.1 |
0.2 |
0.869 |
0 |
0 |
0 |
0.000 |
19 |
35 |
|
A |
12 |
3 |
2802 |
◊ |
C |
-y+1,x-y+1,z |
2_665 |
11 |
2 |
2563 |
40.3 |
-1.9 |
0.526 |
0 |
0 |
0 |
0.000 |
36 |
|
B |
11 |
2 |
2562 |
◊ |
D |
-y,x-y+1,z |
2_565 |
12 |
3 |
2798 |
40.0 |
-1.8 |
0.538 |
0 |
0 |
0 |
0.000 |
Average: |
40.1 |
-1.9 |
0.532 |
0 |
0 |
0 |
0.000 |
20 |
37 |
|
C |
12 |
3 |
2563 |
◊ |
C |
-y+1,x-y+1,z |
2_665 |
11 |
2 |
2563 |
39.7 |
-1.8 |
0.552 |
0 |
0 |
0 |
0.000 |
38 |
|
B |
11 |
2 |
2562 |
◊ |
B |
-y,x-y+1,z |
2_565 |
12 |
3 |
2562 |
39.5 |
-1.8 |
0.563 |
0 |
0 |
0 |
0.000 |
Average: |
39.6 |
-1.8 |
0.557 |
0 |
0 |
0 |
0.000 |
21 |
39 |
|
A |
12 |
1 |
2802 |
◊ |
D |
x,y,z-1 |
1_554 |
13 |
1 |
2798 |
36.5 |
1.1 |
0.924 |
0 |
0 |
0 |
0.000 |
22 |
40 |
|
[NH4]B:204 |
1 |
1 |
117 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
2798 |
28.6 |
0.3 |
0.705 |
0 |
0 |
0 |
0.000 |
41 |
|
[NH4]A:202 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
2802 |
28.3 |
0.2 |
0.704 |
0 |
0 |
0 |
0.000 |
Average: |
28.4 |
0.2 |
0.705 |
0 |
0 |
0 |
0.000 |
23 |
42 |
|
[NH4]B:204 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
2562 |
28.0 |
0.3 |
0.745 |
0 |
0 |
0 |
0.000 |
43 |
|
[NH4]A:202 |
1 |
1 |
117 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
2563 |
27.7 |
0.3 |
0.745 |
0 |
0 |
0 |
0.000 |
Average: |
27.9 |
0.3 |
0.745 |
0 |
0 |
0 |
0.000 |
24 |
44 |
|
C |
9 |
1 |
2563 |
◊ |
D |
x,y,z-1 |
1_554 |
8 |
1 |
2798 |
27.5 |
0.4 |
0.841 |
0 |
0 |
0 |
0.000 |
45 |
|
A |
9 |
1 |
2802 |
◊ |
B |
x,y,z-1 |
1_554 |
10 |
1 |
2562 |
27.5 |
0.3 |
0.843 |
0 |
0 |
0 |
0.000 |
Average: |
27.5 |
0.4 |
0.842 |
0 |
0 |
0 |
0.000 |
25 |
46 |
|
[NH4]B:201 |
1 |
1 |
117 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
2798 |
27.3 |
0.3 |
0.705 |
0 |
0 |
0 |
0.000 |
47 |
|
[NH4]A:203 |
1 |
1 |
117 |
◊ |
A |
x,y,z-1 |
1_554 |
3 |
2 |
2802 |
26.9 |
0.3 |
0.703 |
0 |
0 |
0 |
0.000 |
Average: |
27.1 |
0.3 |
0.704 |
0 |
0 |
0 |
0.000 |
26 |
48 |
|
[NH4]B:201 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
2562 |
27.1 |
0.3 |
0.744 |
0 |
0 |
0 |
0.000 |
49 |
|
[NH4]A:203 |
1 |
1 |
117 |
◊ |
C |
x,y,z-1 |
1_554 |
3 |
2 |
2563 |
26.7 |
0.3 |
0.744 |
0 |
0 |
0 |
0.000 |
Average: |
26.9 |
0.3 |
0.744 |
0 |
0 |
0 |
0.000 |
27 |
50 |
|
C |
5 |
1 |
2563 |
◊ |
B |
x,y,z-1 |
1_554 |
5 |
1 |
2562 |
18.1 |
-0.3 |
0.664 |
0 |
0 |
0 |
0.000 |
28 |
51 |
|
D |
5 |
1 |
2798 |
◊ |
A |
x,y,z-1 |
1_554 |
5 |
1 |
2802 |
10.5 |
-0.4 |
0.590 |
0 |
0 |
0 |
0.000 |
29 |
52 |
|
A |
3 |
2 |
2802 |
◊ |
C |
-y+1,x-y+1,z+1 |
2_666 |
6 |
1 |
2563 |
8.9 |
-0.4 |
0.538 |
0 |
0 |
0 |
0.000 |
53 |
|
B |
6 |
1 |
2562 |
◊ |
D |
-y,x-y+1,z+1 |
2_566 |
3 |
2 |
2798 |
8.8 |
-0.4 |
0.541 |
0 |
0 |
0 |
0.000 |
Average: |
8.9 |
-0.4 |
0.540 |
0 |
0 |
0 |
0.000 |
30 |
54 |
|
A |
3 |
2 |
2802 |
◊ |
A |
-y+1,x-y+1,z+1 |
2_666 |
6 |
1 |
2802 |
8.9 |
-0.4 |
0.528 |
0 |
0 |
0 |
0.000 |
55 |
|
D |
6 |
1 |
2798 |
◊ |
D |
-y,x-y+1,z+1 |
2_566 |
3 |
2 |
2798 |
8.7 |
-0.4 |
0.531 |
0 |
0 |
0 |
0.000 |
Average: |
8.8 |
-0.4 |
0.529 |
0 |
0 |
0 |
0.000 |
31 |
56 |
|
C |
3 |
2 |
2563 |
◊ |
C |
-y+1,x-y+1,z+1 |
2_666 |
6 |
1 |
2563 |
8.8 |
-0.4 |
0.554 |
0 |
0 |
0 |
0.000 |
57 |
|
B |
6 |
1 |
2562 |
◊ |
B |
-y,x-y+1,z+1 |
2_566 |
3 |
2 |
2562 |
8.7 |
-0.4 |
0.556 |
0 |
0 |
0 |
0.000 |
Average: |
8.8 |
-0.4 |
0.555 |
0 |
0 |
0 |
0.000 |
32 |
58 |
|
C |
3 |
2 |
2563 |
◊ |
A |
-y+1,x-y+1,z+1 |
2_666 |
6 |
1 |
2802 |
8.8 |
-0.4 |
0.542 |
0 |
0 |
0 |
0.000 |
59 |
|
D |
6 |
1 |
2798 |
◊ |
B |
-y,x-y+1,z+1 |
2_566 |
3 |
2 |
2562 |
8.7 |
-0.4 |
0.546 |
0 |
0 |
0 |
0.000 |
Average: |
8.7 |
-0.4 |
0.544 |
0 |
0 |
0 |
0.000 |
33 |
60 |
|
D |
1 |
1 |
2798 |
◊ |
C |
-y+1,x-y+1,z |
2_665 |
1 |
1 |
2563 |
4.6 |
-0.5 |
0.242 |
0 |
0 |
0 |
0.000 |
61 |
|
B |
1 |
1 |
2562 |
◊ |
A |
-y,x-y+1,z |
2_565 |
1 |
1 |
2802 |
4.5 |
-0.5 |
0.242 |
0 |
0 |
0 |
0.000 |
Average: |
4.6 |
-0.5 |
0.242 |
0 |
0 |
0 |
0.000 |
34 |
62 |
|
D |
3 |
1 |
2798 |
◊ |
C |
x,y,z-1 |
1_554 |
2 |
1 |
2563 |
4.6 |
-0.2 |
0.541 |
0 |
0 |
0 |
0.000 |
63 |
|
B |
2 |
1 |
2562 |
◊ |
A |
x,y,z-1 |
1_554 |
2 |
1 |
2802 |
4.5 |
-0.2 |
0.482 |
0 |
0 |
0 |
0.000 |
Average: |
4.6 |
-0.2 |
0.512 |
0 |
0 |
0 |
0.000 |
35 |
64 |
|
D |
1 |
1 |
2798 |
◊ |
A |
-y+1,x-y+1,z |
2_665 |
1 |
1 |
2802 |
4.6 |
-0.5 |
0.227 |
0 |
0 |
0 |
0.000 |
65 |
|
D |
1 |
1 |
2798 |
◊ |
A |
-y,x-y+1,z |
2_565 |
1 |
1 |
2802 |
4.5 |
-0.5 |
0.227 |
0 |
0 |
0 |
0.000 |
Average: |
4.6 |
-0.5 |
0.227 |
0 |
0 |
0 |
0.000 |
36 |
66 |
|
B |
1 |
1 |
2562 |
◊ |
C |
-y+1,x-y+1,z |
2_665 |
1 |
1 |
2563 |
4.4 |
-0.5 |
0.258 |
0 |
0 |
0 |
0.000 |
67 |
|
B |
1 |
1 |
2562 |
◊ |
C |
-y,x-y+1,z |
2_565 |
1 |
1 |
2563 |
4.3 |
-0.5 |
0.258 |
0 |
0 |
0 |
0.000 |
Average: |
4.4 |
-0.5 |
0.258 |
0 |
0 |
0 |
0.000 |
37 |
68 |
|
B |
1 |
1 |
2562 |
◊ |
A |
-y+1,x-y+1,z |
2_665 |
1 |
1 |
2802 |
4.4 |
-0.5 |
0.242 |
0 |
0 |
0 |
0.000 |
69 |
|
D |
1 |
1 |
2798 |
◊ |
C |
-y,x-y+1,z |
2_565 |
1 |
1 |
2563 |
4.3 |
-0.5 |
0.242 |
0 |
0 |
0 |
0.000 |
Average: |
4.3 |
-0.5 |
0.242 |
0 |
0 |
0 |
0.000 |
38 |
70 |
|
B |
1 |
1 |
2562 |
◊ |
C |
x,y,z-1 |
1_554 |
1 |
1 |
2563 |
2.4 |
0.1 |
0.579 |
0 |
0 |
0 |
0.000 |
|