## |
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 |
180 |
41 |
6790 |
◊ |
A |
x,y,z |
1_555 |
184 |
44 |
6749 |
1761.1 |
-20.1 |
0.245 |
31 |
8 |
0 |
0.910 |
2 |
2 |
|
[478]A:401 |
28 |
1 |
713 |
◊ |
A |
x,y,z |
1_555 |
43 |
17 |
6749 |
327.1 |
1.0 |
0.344 |
2 |
0 |
0 |
0.000 |
3 |
3 |
|
[478]A:401 |
29 |
1 |
713 |
f |
B |
x,y,z |
1_555 |
39 |
15 |
6790 |
301.4 |
1.6 |
0.362 |
5 |
0 |
0 |
0.023 |
4 |
4 |
|
A |
32 |
7 |
6749 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
32 |
8 |
6790 |
296.8 |
-3.5 |
0.388 |
2 |
0 |
0 |
0.000 |
5 |
5 |
|
A |
22 |
8 |
6749 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
3_546 |
20 |
4 |
6790 |
185.5 |
0.7 |
0.780 |
5 |
0 |
0 |
0.000 |
6 |
6 |
|
A |
26 |
6 |
6749 |
◊ |
B |
x,y,z-1 |
1_554 |
16 |
6 |
6790 |
178.2 |
-1.0 |
0.612 |
1 |
0 |
0 |
0.000 |
7 |
7 |
|
B |
17 |
5 |
6790 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
15 |
3 |
6749 |
139.7 |
-2.5 |
0.320 |
0 |
0 |
0 |
0.000 |
8 |
8 |
|
B |
13 |
3 |
6790 |
x |
B |
-x+1/2,y-1/2,-z+1 |
3_546 |
14 |
5 |
6790 |
121.5 |
-0.5 |
0.456 |
1 |
0 |
0 |
0.000 |
9 |
9 |
|
[IOD]B:527 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
6790 |
80.9 |
-0.2 |
0.787 |
0 |
0 |
0 |
0.006 |
10 |
|
[IOD]A:526 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
6749 |
79.4 |
0.0 |
0.804 |
0 |
0 |
0 |
0.006 |
Average: |
80.2 |
-0.1 |
0.796 |
0 |
0 |
0 |
0.006 |
10 |
11 |
|
[IOD]A:514 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
6749 |
80.3 |
-0.2 |
0.779 |
0 |
0 |
0 |
0.015 |
12 |
|
[IOD]A:522 |
1 |
1 |
144 |
f |
B |
x,y,z-1 |
1_554 |
16 |
7 |
6790 |
56.0 |
-0.3 |
0.771 |
0 |
0 |
0 |
0.015 |
Average: |
68.2 |
-0.2 |
0.775 |
0 |
0 |
0 |
0.015 |
11 |
13 |
|
[IOD]B:519 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
6790 |
72.3 |
-0.6 |
0.678 |
0 |
0 |
0 |
0.036 |
14 |
|
[IOD]B:531 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
6790 |
58.9 |
-0.3 |
0.716 |
0 |
0 |
0 |
0.036 |
Average: |
65.6 |
-0.5 |
0.697 |
0 |
0 |
0 |
0.036 |
12 |
15 |
|
[IOD]A:511 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
6749 |
69.4 |
0.3 |
0.851 |
0 |
0 |
0 |
0.010 |
16 |
|
[IOD]B:508 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
12 |
3 |
6790 |
60.3 |
-0.3 |
0.749 |
0 |
0 |
0 |
0.010 |
Average: |
64.9 |
0.0 |
0.800 |
0 |
0 |
0 |
0.010 |
13 |
17 |
|
[IOD]B:501 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
6790 |
69.1 |
0.1 |
0.809 |
0 |
0 |
0 |
0.000 |
18 |
|
[IOD]A:502 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
6749 |
55.0 |
0.1 |
0.782 |
0 |
0 |
0 |
0.000 |
Average: |
62.0 |
0.1 |
0.796 |
0 |
0 |
0 |
0.000 |
14 |
19 |
|
[IOD]A:524 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
6749 |
68.0 |
-0.2 |
0.777 |
0 |
0 |
0 |
0.011 |
15 |
20 |
|
[IOD]B:506 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
6790 |
66.2 |
0.3 |
0.847 |
0 |
0 |
0 |
0.000 |
21 |
|
[IOD]A:507 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
6749 |
60.7 |
0.1 |
0.827 |
0 |
0 |
0 |
0.000 |
Average: |
63.5 |
0.2 |
0.837 |
0 |
0 |
0 |
0.000 |
16 |
22 |
|
[IOD]B:504 |
1 |
1 |
144 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
3_546 |
10 |
4 |
6790 |
64.0 |
-0.5 |
0.662 |
0 |
0 |
0 |
0.000 |
23 |
|
A |
6 |
3 |
6749 |
◊ |
[IOD]B:505 |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
144 |
54.5 |
-0.0 |
0.768 |
0 |
0 |
0 |
0.000 |
Average: |
59.2 |
-0.3 |
0.715 |
0 |
0 |
0 |
0.000 |
17 |
24 |
|
A |
8 |
4 |
6749 |
f |
[IOD]B:516 |
-x+1/2,y-1/2,-z+1 |
3_546 |
1 |
1 |
144 |
63.8 |
-0.4 |
0.647 |
0 |
0 |
0 |
0.027 |
18 |
25 |
|
[IOD]A:510 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
6749 |
62.9 |
-0.2 |
0.734 |
0 |
0 |
0 |
0.018 |
26 |
|
[IOD]B:503 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
6790 |
58.9 |
-0.3 |
0.708 |
0 |
0 |
0 |
0.018 |
Average: |
60.9 |
-0.3 |
0.721 |
0 |
0 |
0 |
0.018 |
19 |
27 |
|
[IOD]B:525 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
6790 |
62.5 |
0.2 |
0.848 |
0 |
0 |
0 |
0.000 |
20 |
28 |
|
[IOD]B:505 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
6790 |
61.9 |
0.1 |
0.816 |
0 |
0 |
0 |
0.000 |
21 |
29 |
|
[IOD]A:512 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
6749 |
60.8 |
-0.2 |
0.732 |
0 |
0 |
0 |
0.018 |
22 |
30 |
|
A |
10 |
4 |
6749 |
x |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
1 |
6749 |
59.2 |
-1.7 |
0.133 |
0 |
0 |
0 |
0.000 |
23 |
31 |
|
[IOD]A:517 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
6749 |
56.8 |
-0.2 |
0.759 |
0 |
0 |
0 |
0.012 |
24 |
32 |
|
[IOD]B:530 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
8 |
2 |
6790 |
56.6 |
1.0 |
0.936 |
0 |
0 |
0 |
0.000 |
25 |
33 |
|
[IOD]B:513 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
6790 |
54.1 |
-0.0 |
0.801 |
0 |
0 |
0 |
0.000 |
26 |
34 |
|
[IOD]A:528 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
6749 |
53.9 |
-0.0 |
0.781 |
0 |
0 |
0 |
0.001 |
27 |
35 |
|
[IOD]A:533 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
6749 |
52.5 |
-0.2 |
0.654 |
0 |
0 |
0 |
0.017 |
28 |
36 |
|
[IOD]A:532 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
6749 |
51.0 |
0.0 |
0.793 |
0 |
0 |
0 |
0.000 |
29 |
37 |
|
[IOD]A:509 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
6749 |
50.8 |
0.2 |
0.827 |
0 |
0 |
0 |
0.000 |
30 |
38 |
|
[IOD]A:523 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
6749 |
50.6 |
0.1 |
0.830 |
0 |
0 |
0 |
0.000 |
31 |
39 |
|
A |
9 |
3 |
6749 |
◊ |
[IOD]B:515 |
-x+1/2,y-1/2,-z+1 |
3_546 |
1 |
1 |
144 |
49.4 |
-0.3 |
0.690 |
0 |
0 |
0 |
0.000 |
32 |
40 |
|
[IOD]A:529 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
6749 |
46.9 |
-0.1 |
0.734 |
0 |
0 |
0 |
0.010 |
33 |
41 |
|
A |
8 |
5 |
6749 |
◊ |
[IOD]B:513 |
x,y,z-1 |
1_554 |
1 |
1 |
144 |
46.6 |
0.9 |
0.935 |
0 |
0 |
0 |
0.000 |
34 |
42 |
|
[IOD]A:529 |
1 |
1 |
144 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
5 |
4 |
6790 |
44.8 |
0.0 |
0.797 |
0 |
0 |
0 |
0.000 |
35 |
43 |
|
[IOD]B:515 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
6790 |
44.5 |
-0.4 |
0.588 |
0 |
0 |
0 |
0.014 |
36 |
44 |
|
[IOD]B:516 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
6790 |
41.7 |
-0.1 |
0.764 |
0 |
0 |
0 |
0.000 |
37 |
45 |
|
[IOD]B:504 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
6790 |
41.0 |
-0.3 |
0.569 |
0 |
0 |
0 |
0.010 |
38 |
46 |
|
[IOD]A:523 |
1 |
1 |
144 |
f |
B |
x,y,z-1 |
1_554 |
9 |
4 |
6790 |
38.4 |
-0.4 |
0.694 |
0 |
0 |
0 |
0.014 |
39 |
47 |
|
[IOD]A:524 |
1 |
1 |
144 |
◊ |
B |
x,y,z-1 |
1_554 |
5 |
2 |
6790 |
37.9 |
0.4 |
0.910 |
0 |
0 |
0 |
0.000 |
40 |
48 |
|
[IOD]A:509 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
6790 |
36.6 |
-0.2 |
0.731 |
0 |
0 |
0 |
0.007 |
41 |
49 |
|
[IOD]A:528 |
1 |
1 |
144 |
◊ |
B |
x,y,z-1 |
1_554 |
6 |
2 |
6790 |
35.8 |
0.2 |
0.862 |
0 |
0 |
0 |
0.000 |
42 |
50 |
|
[IOD]A:502 |
1 |
1 |
144 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
3_546 |
5 |
1 |
6790 |
33.5 |
0.3 |
0.883 |
0 |
0 |
0 |
0.000 |
43 |
51 |
|
[IOD]B:531 |
1 |
1 |
144 |
f |
[IOD]B:519 |
x,y,z |
1_555 |
1 |
1 |
144 |
30.5 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
44 |
52 |
|
[IOD]A:532 |
1 |
1 |
144 |
f |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
1 |
6790 |
28.8 |
-0.3 |
0.628 |
0 |
0 |
0 |
0.011 |
45 |
53 |
|
[IOD]A:517 |
1 |
1 |
144 |
◊ |
[IOD]B:515 |
-x+1/2,y-1/2,-z+1 |
3_546 |
1 |
1 |
144 |
28.5 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
46 |
54 |
|
[IOD]A:533 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
6790 |
27.7 |
0.1 |
0.836 |
0 |
0 |
0 |
0.000 |
47 |
55 |
|
A |
3 |
2 |
6749 |
◊ |
[IOD]B:503 |
x,y,z-1 |
1_554 |
1 |
1 |
144 |
27.1 |
-0.0 |
0.779 |
0 |
0 |
0 |
0.000 |
48 |
56 |
|
[IOD]A:522 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
6749 |
26.1 |
0.1 |
0.839 |
0 |
0 |
0 |
0.000 |
49 |
57 |
|
[IOD]A:509 |
1 |
1 |
144 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
3_546 |
1 |
1 |
6790 |
25.0 |
0.4 |
0.978 |
0 |
0 |
0 |
0.000 |
50 |
58 |
|
[IOD]A:517 |
1 |
1 |
144 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
3_546 |
3 |
1 |
6790 |
23.7 |
-0.3 |
0.540 |
0 |
0 |
0 |
0.000 |
51 |
59 |
|
[IOD]A:523 |
1 |
1 |
144 |
f |
[IOD]B:503 |
x,y,z-1 |
1_554 |
1 |
1 |
144 |
23.5 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
52 |
60 |
|
[IOD]A:523 |
1 |
1 |
144 |
f |
[IOD]A:522 |
x,y,z |
1_555 |
1 |
1 |
144 |
22.2 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
53 |
61 |
|
[IOD]A:522 |
1 |
1 |
144 |
f |
[IOD]B:513 |
x,y,z-1 |
1_554 |
1 |
1 |
144 |
21.3 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
54 |
62 |
|
[IOD]A:532 |
1 |
1 |
144 |
◊ |
[IOD]A:512 |
x,y,z |
1_555 |
1 |
1 |
144 |
20.3 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
55 |
63 |
|
[IOD]B:504 |
1 |
1 |
144 |
◊ |
[IOD]B:519 |
-x+1/2,y-1/2,-z+1 |
3_546 |
1 |
1 |
144 |
20.0 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
56 |
64 |
|
[IOD]A:517 |
1 |
1 |
144 |
◊ |
[IOD]A:502 |
x,y,z |
1_555 |
1 |
1 |
144 |
18.4 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
57 |
65 |
|
[IOD]A:511 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
6790 |
17.4 |
0.2 |
0.891 |
0 |
0 |
0 |
0.000 |
66 |
|
[IOD]B:508 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
6749 |
15.4 |
0.2 |
0.892 |
0 |
0 |
0 |
0.000 |
Average: |
16.4 |
0.2 |
0.892 |
0 |
0 |
0 |
0.000 |
58 |
67 |
|
[IOD]B:504 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
3 |
3 |
6749 |
17.2 |
-0.2 |
0.630 |
0 |
0 |
0 |
0.006 |
59 |
68 |
|
[IOD]B:506 |
1 |
1 |
144 |
f |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
6749 |
17.0 |
0.0 |
0.770 |
0 |
0 |
0 |
0.000 |
60 |
69 |
|
B |
2 |
2 |
6790 |
◊ |
[IOD]B:519 |
-x+1/2,y-1/2,-z+1 |
3_546 |
1 |
1 |
144 |
12.6 |
-0.1 |
0.697 |
0 |
0 |
0 |
0.000 |
61 |
70 |
|
[IOD]A:509 |
1 |
1 |
144 |
◊ |
[IOD]B:525 |
-x+1/2,y-1/2,-z+1 |
3_546 |
1 |
1 |
144 |
12.5 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
62 |
71 |
|
B |
2 |
1 |
6790 |
◊ |
[IOD]B:525 |
-x+1/2,y-1/2,-z+1 |
3_546 |
1 |
1 |
144 |
11.9 |
-0.1 |
0.611 |
0 |
0 |
0 |
0.000 |
63 |
72 |
|
A |
3 |
1 |
6749 |
◊ |
[IOD]B:525 |
-x+1/2,y-1/2,-z+1 |
3_546 |
1 |
1 |
144 |
11.9 |
0.1 |
0.869 |
0 |
0 |
0 |
0.000 |
64 |
73 |
|
[IOD]A:533 |
1 |
1 |
144 |
f |
[IOD]A:512 |
x,y,z |
1_555 |
1 |
1 |
144 |
11.4 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
65 |
74 |
|
[IOD]B:530 |
1 |
1 |
144 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
3_546 |
2 |
1 |
6790 |
9.7 |
-0.1 |
0.647 |
0 |
0 |
0 |
0.000 |
66 |
75 |
|
[IOD]A:523 |
1 |
1 |
144 |
f |
[IOD]B:513 |
x,y,z-1 |
1_554 |
1 |
1 |
144 |
7.9 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
67 |
76 |
|
[IOD]A:514 |
1 |
1 |
144 |
f |
[IOD]A:510 |
x,y,z |
1_555 |
1 |
1 |
144 |
7.7 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
68 |
77 |
|
[IOD]A:522 |
1 |
1 |
144 |
f |
[IOD]B:503 |
x,y,z-1 |
1_554 |
1 |
1 |
144 |
6.6 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
69 |
78 |
|
[IOD]A:509 |
1 |
1 |
144 |
◊ |
[IOD]A:502 |
x,y,z |
1_555 |
1 |
1 |
144 |
6.4 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
70 |
79 |
|
[IOD]A:502 |
1 |
1 |
144 |
f |
[IOD]B:525 |
-x+1/2,y-1/2,-z+1 |
3_546 |
1 |
1 |
144 |
4.8 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
71 |
80 |
|
[IOD]A:532 |
1 |
1 |
144 |
◊ |
[IOD]B:505 |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
144 |
1.9 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
72 |
81 |
|
[IOD]B:530 |
1 |
1 |
144 |
◊ |
[IOD]B:531 |
-x+1/2,y-1/2,-z+1 |
3_546 |
1 |
1 |
144 |
1.1 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
73 |
82 |
|
[IOD]B:516 |
1 |
1 |
144 |
◊ |
[IOD]B:515 |
x,y,z |
1_555 |
1 |
1 |
144 |
0.5 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
|