| ## |
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 |
220 |
64 |
10507 |
◊ |
A |
x,y,z |
1_555 |
218 |
62 |
10758 |
2117.5 |
-19.5 |
0.705 |
27 |
5 |
0 |
0.819 |
2 |
|
D |
208 |
60 |
10345 |
◊ |
C |
x,y,z |
1_555 |
212 |
59 |
10507 |
2044.9 |
-16.7 |
0.680 |
30 |
8 |
0 |
0.819 |
3 |
|
E |
196 |
62 |
10477 |
◊ |
B |
x,y,z |
1_555 |
192 |
53 |
9830 |
1875.7 |
-18.4 |
0.617 |
28 |
7 |
0 |
0.819 |
4 |
|
E |
192 |
55 |
10477 |
◊ |
A |
x,y,z |
1_555 |
193 |
58 |
10758 |
1871.2 |
-16.1 |
0.712 |
28 |
7 |
0 |
0.819 |
5 |
|
D |
181 |
49 |
10345 |
◊ |
B |
x,y,z |
1_555 |
187 |
56 |
9830 |
1735.5 |
-16.7 |
0.613 |
24 |
6 |
0 |
0.819 |
| Average: |
1928.9 |
-17.5 |
0.665 |
27 |
7 |
0 |
0.819 |
| 2 |
6 |
|
C |
21 |
10 |
10507 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
24 |
10 |
10345 |
271.1 |
-1.1 |
0.671 |
4 |
0 |
0 |
0.000 |
| 3 |
7 |
|
D |
27 |
10 |
10345 |
◊ |
A |
x,y,z |
1_555 |
19 |
8 |
10758 |
232.8 |
-5.8 |
0.137 |
0 |
0 |
0 |
0.093 |
8 |
|
B |
16 |
8 |
9830 |
◊ |
A |
x,y,z |
1_555 |
28 |
10 |
10758 |
220.6 |
-6.2 |
0.095 |
0 |
0 |
0 |
0.093 |
9 |
|
E |
10 |
6 |
10477 |
◊ |
C |
x,y,z |
1_555 |
11 |
6 |
10507 |
90.8 |
-2.6 |
0.257 |
0 |
0 |
0 |
0.093 |
10 |
|
C |
9 |
6 |
10507 |
◊ |
B |
x,y,z |
1_555 |
12 |
8 |
9830 |
87.1 |
-2.7 |
0.208 |
0 |
0 |
0 |
0.093 |
| Average: |
157.8 |
-4.3 |
0.174 |
0 |
0 |
0 |
0.093 |
| 4 |
11 |
|
E |
20 |
8 |
10477 |
◊ |
D |
x,y,z |
1_555 |
18 |
7 |
10345 |
141.4 |
-3.9 |
0.261 |
0 |
0 |
0 |
0.021 |
| 5 |
12 |
|
A |
8 |
3 |
10758 |
◊ |
B |
x,y-1,z |
1_545 |
8 |
3 |
9830 |
84.5 |
-1.5 |
0.376 |
0 |
0 |
0 |
0.000 |
| 6 |
13 |
|
[IOD]A:203 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
10758 |
79.8 |
-0.2 |
0.803 |
0 |
0 |
0 |
0.042 |
14 |
|
[IOD]E:203 |
1 |
1 |
144 |
f |
E |
x,y,z |
1_555 |
12 |
4 |
10477 |
76.1 |
-0.3 |
0.761 |
0 |
0 |
0 |
0.042 |
| Average: |
77.9 |
-0.2 |
0.782 |
0 |
0 |
0 |
0.042 |
| 7 |
15 |
|
[IOD]B:202 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
9830 |
79.4 |
-0.5 |
0.721 |
0 |
0 |
0 |
0.076 |
16 |
|
[IOD]E:202 |
1 |
1 |
144 |
f |
E |
x,y,z |
1_555 |
15 |
6 |
10477 |
77.3 |
-0.3 |
0.787 |
0 |
0 |
0 |
0.076 |
17 |
|
[IOD]D:202 |
1 |
1 |
144 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
10345 |
77.2 |
-0.5 |
0.709 |
0 |
0 |
0 |
0.076 |
18 |
|
[IOD]A:208 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
10758 |
64.6 |
-0.3 |
0.778 |
0 |
0 |
0 |
0.076 |
| Average: |
74.6 |
-0.4 |
0.749 |
0 |
0 |
0 |
0.076 |
| 8 |
19 |
|
[IOD]D:207 |
1 |
1 |
144 |
◊ |
D |
x,y,z |
1_555 |
11 |
6 |
10345 |
70.8 |
-0.1 |
0.789 |
0 |
0 |
0 |
0.000 |
20 |
|
C |
11 |
6 |
10507 |
◊ |
[IOD]D:203 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
144 |
69.9 |
-0.0 |
0.814 |
0 |
0 |
0 |
0.000 |
| Average: |
70.4 |
-0.0 |
0.802 |
0 |
0 |
0 |
0.000 |
| 9 |
21 |
|
[IOD]C:203 |
1 |
1 |
144 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
10507 |
69.8 |
-0.4 |
0.730 |
0 |
0 |
0 |
0.052 |
| 10 |
22 |
|
[IOD]C:201 |
1 |
1 |
144 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
10507 |
69.5 |
-0.5 |
0.676 |
0 |
0 |
0 |
0.072 |
23 |
|
[IOD]A:201 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
10758 |
69.3 |
-0.5 |
0.678 |
0 |
0 |
0 |
0.072 |
24 |
|
[IOD]B:201 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
9830 |
68.8 |
-0.5 |
0.648 |
0 |
0 |
0 |
0.072 |
25 |
|
[IOD]E:201 |
1 |
1 |
144 |
f |
E |
x,y,z |
1_555 |
8 |
4 |
10477 |
68.7 |
-0.4 |
0.652 |
0 |
0 |
0 |
0.072 |
26 |
|
[IOD]D:201 |
1 |
1 |
144 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
10345 |
68.3 |
-0.4 |
0.667 |
0 |
0 |
0 |
0.072 |
| Average: |
68.9 |
-0.4 |
0.664 |
0 |
0 |
0 |
0.072 |
| 11 |
27 |
|
[IOD]D:206 |
1 |
1 |
144 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
10345 |
67.5 |
0.5 |
0.896 |
0 |
0 |
0 |
0.000 |
28 |
|
[IOD]A:207 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
10758 |
66.5 |
0.6 |
0.916 |
0 |
0 |
0 |
0.000 |
29 |
|
[IOD]C:204 |
1 |
1 |
144 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
10507 |
65.8 |
0.5 |
0.909 |
0 |
0 |
0 |
0.000 |
30 |
|
[IOD]B:203 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
9830 |
65.3 |
0.6 |
0.910 |
0 |
0 |
0 |
0.000 |
31 |
|
[IOD]E:205 |
1 |
1 |
144 |
f |
E |
x,y,z |
1_555 |
10 |
6 |
10477 |
62.7 |
0.5 |
0.905 |
0 |
0 |
0 |
0.000 |
| Average: |
65.6 |
0.5 |
0.907 |
0 |
0 |
0 |
0.000 |
| 12 |
32 |
|
[IOD]D:205 |
1 |
1 |
144 |
◊ |
D |
x,y,z |
1_555 |
13 |
4 |
10345 |
67.2 |
0.2 |
0.858 |
0 |
0 |
0 |
0.000 |
| 13 |
33 |
|
A |
5 |
1 |
10758 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
6 |
4 |
9830 |
66.2 |
-0.9 |
0.418 |
0 |
0 |
0 |
0.000 |
| 14 |
34 |
|
[IOD]A:206 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
10758 |
58.8 |
-0.2 |
0.785 |
0 |
0 |
0 |
0.027 |
| 15 |
35 |
|
[NA]B:205 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
10345 |
58.0 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.089 |
| 16 |
36 |
|
[IOD]A:204 |
1 |
1 |
144 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
10507 |
52.5 |
0.3 |
0.884 |
0 |
0 |
0 |
0.000 |
37 |
|
[IOD]D:204 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
9830 |
51.4 |
0.3 |
0.867 |
0 |
0 |
0 |
0.000 |
38 |
|
[IOD]C:202 |
1 |
1 |
144 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
10345 |
51.3 |
0.3 |
0.871 |
0 |
0 |
0 |
0.000 |
39 |
|
[IOD]E:204 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
10758 |
51.1 |
0.3 |
0.884 |
0 |
0 |
0 |
0.000 |
40 |
|
[IOD]B:204 |
1 |
1 |
144 |
◊ |
E |
x,y,z |
1_555 |
7 |
3 |
10477 |
47.4 |
0.3 |
0.871 |
0 |
0 |
0 |
0.000 |
| Average: |
50.7 |
0.3 |
0.875 |
0 |
0 |
0 |
0.000 |
| 17 |
41 |
|
[IOD]A:208 |
1 |
1 |
144 |
◊ |
C |
x,y,z |
1_555 |
9 |
5 |
10507 |
51.7 |
0.7 |
0.926 |
0 |
0 |
0 |
0.001 |
42 |
|
[IOD]B:202 |
1 |
1 |
144 |
◊ |
E |
x,y,z |
1_555 |
4 |
3 |
10477 |
26.8 |
-0.3 |
0.612 |
0 |
0 |
0 |
0.001 |
43 |
|
[IOD]E:202 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
10758 |
26.8 |
-0.3 |
0.549 |
0 |
0 |
0 |
0.001 |
44 |
|
[IOD]D:202 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
9830 |
26.5 |
-0.3 |
0.546 |
0 |
0 |
0 |
0.001 |
| Average: |
33.0 |
-0.1 |
0.658 |
0 |
0 |
0 |
0.001 |
| 18 |
45 |
|
[IOD]C:202 |
1 |
1 |
144 |
f |
C |
x,y,z |
1_555 |
8 |
2 |
10507 |
51.5 |
-0.3 |
0.718 |
0 |
0 |
0 |
0.042 |
46 |
|
[IOD]A:204 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
10758 |
51.2 |
-0.2 |
0.740 |
0 |
0 |
0 |
0.042 |
47 |
|
[IOD]E:204 |
1 |
1 |
144 |
f |
E |
x,y,z |
1_555 |
8 |
2 |
10477 |
50.8 |
-0.2 |
0.746 |
0 |
0 |
0 |
0.042 |
48 |
|
[IOD]D:204 |
1 |
1 |
144 |
f |
D |
x,y,z |
1_555 |
8 |
2 |
10345 |
50.7 |
-0.3 |
0.712 |
0 |
0 |
0 |
0.042 |
49 |
|
[IOD]B:204 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
8 |
2 |
9830 |
50.6 |
-0.3 |
0.727 |
0 |
0 |
0 |
0.042 |
| Average: |
50.9 |
-0.3 |
0.729 |
0 |
0 |
0 |
0.042 |
| 19 |
50 |
|
B |
4 |
1 |
9830 |
◊ |
B |
-x,y,-z |
2_555 |
4 |
1 |
9830 |
47.3 |
-0.1 |
0.603 |
1 |
0 |
0 |
0.000 |
51 |
|
E |
5 |
2 |
10477 |
◊ |
D |
-x,y,-z |
2_555 |
4 |
1 |
10345 |
45.4 |
-0.2 |
0.603 |
1 |
0 |
0 |
0.000 |
52 |
|
C |
4 |
1 |
10507 |
◊ |
A |
-x,y,-z |
2_555 |
4 |
1 |
10758 |
42.4 |
-0.1 |
0.632 |
1 |
0 |
0 |
0.000 |
| Average: |
45.0 |
-0.1 |
0.613 |
1 |
0 |
0 |
0.000 |
| 20 |
53 |
|
[NA]B:205 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
9830 |
38.8 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.024 |
| 21 |
54 |
|
[IOD]E:203 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
9830 |
38.2 |
0.5 |
0.949 |
0 |
0 |
0 |
0.000 |
55 |
|
[IOD]A:203 |
1 |
1 |
144 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
10477 |
33.1 |
0.8 |
0.986 |
0 |
0 |
0 |
0.000 |
| Average: |
35.6 |
0.7 |
0.968 |
0 |
0 |
0 |
0.000 |
| 22 |
56 |
|
[IOD]A:205 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
10758 |
32.4 |
-0.3 |
0.708 |
0 |
0 |
0 |
0.000 |
57 |
|
[IOD]A:205 |
1 |
1 |
144 |
◊ |
D |
-x,y,-z |
2_555 |
5 |
2 |
10345 |
30.7 |
-0.2 |
0.685 |
0 |
0 |
0 |
0.000 |
| Average: |
31.5 |
-0.3 |
0.697 |
0 |
0 |
0 |
0.000 |
| 23 |
58 |
|
C |
5 |
2 |
10507 |
f |
[IOD]D:207 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
144 |
32.1 |
-0.2 |
0.729 |
0 |
0 |
0 |
0.020 |
59 |
|
[IOD]D:203 |
1 |
1 |
144 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
10345 |
30.4 |
-0.2 |
0.721 |
0 |
0 |
0 |
0.020 |
| Average: |
31.3 |
-0.2 |
0.725 |
0 |
0 |
0 |
0.020 |
| 24 |
60 |
|
[IOD]A:202 |
1 |
1 |
144 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
10507 |
30.8 |
-0.0 |
0.779 |
0 |
0 |
0 |
0.000 |
61 |
|
[IOD]A:202 |
1 |
1 |
144 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
10345 |
29.7 |
-0.1 |
0.716 |
0 |
0 |
0 |
0.000 |
62 |
|
[IOD]A:202 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
9830 |
29.3 |
-0.1 |
0.738 |
0 |
0 |
0 |
0.000 |
63 |
|
[IOD]A:202 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
10758 |
28.2 |
-0.1 |
0.715 |
0 |
0 |
0 |
0.000 |
64 |
|
[IOD]A:202 |
1 |
1 |
144 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
10477 |
28.2 |
-0.1 |
0.720 |
0 |
0 |
0 |
0.000 |
| Average: |
29.2 |
-0.1 |
0.734 |
0 |
0 |
0 |
0.000 |
| 25 |
65 |
|
A |
2 |
1 |
10758 |
◊ |
[IOD]B:201 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
144 |
19.0 |
-0.2 |
0.548 |
0 |
0 |
0 |
0.000 |
| 26 |
66 |
|
C |
3 |
2 |
10507 |
◊ |
C |
-x,y,-z |
2_555 |
3 |
2 |
10507 |
17.4 |
0.1 |
0.698 |
0 |
0 |
0 |
0.000 |
67 |
|
D |
3 |
2 |
10345 |
◊ |
A |
-x,y,-z |
2_555 |
3 |
2 |
10758 |
14.4 |
0.1 |
0.701 |
0 |
0 |
0 |
0.000 |
68 |
|
E |
3 |
2 |
10477 |
◊ |
B |
-x,y,-z |
2_555 |
3 |
2 |
9830 |
12.7 |
0.1 |
0.686 |
0 |
0 |
0 |
0.000 |
| Average: |
14.8 |
0.1 |
0.695 |
0 |
0 |
0 |
0.000 |
| 27 |
69 |
|
B |
2 |
1 |
9830 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
10345 |
13.7 |
-0.2 |
0.352 |
0 |
0 |
0 |
0.000 |
| 28 |
70 |
|
E |
2 |
1 |
10477 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
10758 |
12.1 |
-0.0 |
0.571 |
0 |
0 |
0 |
0.000 |
| 29 |
71 |
|
E |
3 |
3 |
10477 |
◊ |
E |
-x+1,y,-z+1 |
2_656 |
3 |
3 |
10477 |
10.7 |
-0.3 |
0.470 |
0 |
0 |
0 |
0.000 |
| 30 |
72 |
|
C |
1 |
1 |
10507 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
10507 |
8.5 |
0.2 |
0.806 |
0 |
0 |
0 |
0.000 |
| 31 |
73 |
|
[IOD]D:205 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
3 |
3 |
9830 |
7.2 |
0.0 |
0.789 |
0 |
0 |
0 |
0.000 |
| 32 |
74 |
|
E |
1 |
1 |
10477 |
x |
E |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
1 |
10477 |
6.2 |
-0.0 |
0.478 |
0 |
0 |
0 |
0.000 |
|