## |
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 |
91 |
27 |
17547 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
91 |
27 |
17547 |
797.0 |
5.1 |
0.870 |
4 |
2 |
0 |
0.000 |
2 |
2 |
|
C |
72 |
14 |
1505 |
◊ |
A |
x,y,z |
1_555 |
88 |
23 |
17547 |
719.6 |
-14.9 |
0.524 |
4 |
0 |
0 |
0.350 |
3 |
|
D |
69 |
14 |
1517 |
◊ |
B |
x,y,z |
1_555 |
90 |
23 |
17122 |
688.2 |
-14.1 |
0.494 |
5 |
0 |
0 |
0.350 |
Average: |
703.9 |
-14.5 |
0.509 |
5 |
0 |
0 |
0.350 |
3 |
4 |
|
B |
43 |
15 |
17122 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
48 |
14 |
17547 |
420.9 |
-5.1 |
0.146 |
5 |
2 |
0 |
0.000 |
5 |
|
B |
47 |
14 |
17122 |
◊ |
A |
x,y,z |
1_555 |
43 |
17 |
17547 |
404.7 |
-4.9 |
0.159 |
5 |
2 |
0 |
0.000 |
Average: |
412.8 |
-5.0 |
0.152 |
5 |
2 |
0 |
0.000 |
4 |
6 |
|
B |
44 |
13 |
17122 |
◊ |
B |
-x,y,-z |
2_555 |
44 |
13 |
17122 |
416.4 |
-3.0 |
0.323 |
6 |
2 |
0 |
0.000 |
5 |
7 |
|
[GDP]B:999 |
25 |
1 |
567 |
f |
B |
x,y,z |
1_555 |
47 |
17 |
17122 |
334.7 |
-5.8 |
0.513 |
15 |
0 |
0 |
0.268 |
8 |
|
[GDP]A:999 |
27 |
1 |
565 |
f |
A |
x,y,z |
1_555 |
44 |
17 |
17547 |
331.7 |
-6.3 |
0.475 |
15 |
0 |
0 |
0.268 |
Average: |
333.2 |
-6.1 |
0.494 |
15 |
0 |
0 |
0.268 |
6 |
9 |
|
A |
29 |
11 |
17547 |
x |
A |
-x+1,y-1,-z+1 |
2_646 |
31 |
11 |
17547 |
272.9 |
-2.9 |
0.255 |
1 |
0 |
0 |
0.000 |
7 |
10 |
|
A |
29 |
10 |
17547 |
x |
A |
x,y-1,z |
1_545 |
31 |
9 |
17547 |
243.9 |
0.9 |
0.648 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
A |
22 |
5 |
17547 |
x |
A |
x-1/2,y+1/2,z |
3_455 |
27 |
9 |
17547 |
213.1 |
0.3 |
0.564 |
3 |
0 |
0 |
0.000 |
12 |
|
B |
22 |
5 |
17122 |
x |
B |
x-1/2,y+1/2,z |
3_455 |
26 |
8 |
17122 |
212.4 |
0.2 |
0.602 |
3 |
2 |
0 |
0.000 |
Average: |
212.8 |
0.2 |
0.583 |
3 |
1 |
0 |
0.000 |
9 |
13 |
|
B |
24 |
10 |
17122 |
x |
B |
-x+1/2,y-1/2,-z |
4_545 |
27 |
11 |
17122 |
202.3 |
-2.8 |
0.233 |
1 |
0 |
0 |
0.000 |
10 |
14 |
|
A |
20 |
7 |
17547 |
◊ |
B |
x,y-1,z |
1_545 |
21 |
5 |
17122 |
190.0 |
0.3 |
0.614 |
3 |
2 |
0 |
0.000 |
11 |
15 |
|
B |
14 |
4 |
17122 |
x |
B |
x-1/2,y-1/2,z |
3_445 |
15 |
4 |
17122 |
112.8 |
1.3 |
0.768 |
1 |
4 |
0 |
0.000 |
12 |
16 |
|
[ACT]A:3007 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
17547 |
112.8 |
-0.9 |
0.543 |
1 |
0 |
0 |
0.026 |
13 |
17 |
|
[ACT]A:3003 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
17547 |
112.3 |
-0.6 |
0.528 |
0 |
0 |
0 |
0.011 |
14 |
18 |
|
[ACT]A:3026 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
17547 |
106.4 |
-0.4 |
0.622 |
0 |
0 |
0 |
0.008 |
15 |
19 |
|
[ACT]A:3030 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
17547 |
105.3 |
-1.0 |
0.493 |
0 |
0 |
0 |
0.019 |
16 |
20 |
|
[ACT]B:3014 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
17122 |
103.9 |
-0.5 |
0.641 |
0 |
0 |
0 |
0.010 |
17 |
21 |
|
[ACT]A:3022 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
17547 |
103.3 |
0.2 |
0.705 |
2 |
0 |
0 |
0.014 |
18 |
22 |
|
[ACT]B:3015 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
17122 |
103.3 |
-0.2 |
0.632 |
1 |
0 |
0 |
0.000 |
19 |
23 |
|
[ACT]A:3005 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
17547 |
97.4 |
0.6 |
0.779 |
2 |
0 |
0 |
0.005 |
20 |
24 |
|
[ACT]B:3029 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
17122 |
95.9 |
-0.0 |
0.664 |
1 |
0 |
0 |
0.000 |
21 |
25 |
|
[ACT]A:3010 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
17547 |
92.6 |
-0.4 |
0.561 |
1 |
0 |
0 |
0.017 |
22 |
26 |
|
[ACT]A:3013 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
17547 |
90.0 |
-0.4 |
0.631 |
1 |
0 |
0 |
0.016 |
23 |
27 |
|
[ACT]B:3008 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
17122 |
87.3 |
0.7 |
0.801 |
2 |
0 |
0 |
0.000 |
24 |
28 |
|
[ACT]B:3027 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
17122 |
85.3 |
0.4 |
0.679 |
1 |
0 |
0 |
0.001 |
25 |
29 |
|
[ACT]A:3019 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
17547 |
85.1 |
0.3 |
0.766 |
2 |
0 |
0 |
0.011 |
26 |
30 |
|
[ACT]A:3028 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
17547 |
83.3 |
-0.4 |
0.590 |
1 |
0 |
0 |
0.016 |
27 |
31 |
|
[ACT]A:3023 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
17547 |
82.7 |
-0.4 |
0.637 |
1 |
0 |
0 |
0.016 |
28 |
32 |
|
[ACT]A:3025 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
4 |
17547 |
81.8 |
-1.2 |
0.513 |
0 |
0 |
0 |
0.023 |
29 |
33 |
|
[ACT]A:3021 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
17547 |
80.9 |
-0.9 |
0.572 |
0 |
0 |
0 |
0.018 |
30 |
34 |
|
[ACT]B:3012 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
11 |
6 |
17122 |
80.5 |
0.4 |
0.668 |
1 |
0 |
0 |
0.000 |
31 |
35 |
|
[ACT]B:3011 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
17122 |
78.7 |
-0.9 |
0.555 |
1 |
0 |
0 |
0.029 |
32 |
36 |
|
[ACT]B:3009 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
18 |
5 |
17122 |
77.2 |
0.2 |
0.676 |
4 |
0 |
0 |
0.034 |
33 |
37 |
|
D |
8 |
3 |
1517 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
7 |
2 |
17122 |
75.6 |
-2.1 |
0.292 |
0 |
0 |
0 |
0.000 |
34 |
38 |
|
C |
9 |
2 |
1505 |
◊ |
A |
-x+1,y-1,-z+1 |
2_646 |
8 |
4 |
17547 |
75.2 |
-1.1 |
0.480 |
0 |
0 |
0 |
0.000 |
35 |
39 |
|
[ACT]A:3002 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
12 |
7 |
17547 |
71.0 |
0.7 |
0.760 |
2 |
0 |
0 |
0.000 |
36 |
40 |
|
[ACT]B:3001 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
9 |
6 |
17122 |
70.5 |
1.1 |
0.861 |
2 |
0 |
0 |
0.000 |
37 |
41 |
|
[ACT]B:3018 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
17122 |
68.2 |
-0.6 |
0.511 |
0 |
0 |
0 |
0.013 |
38 |
42 |
|
[ACT]B:3011 |
4 |
1 |
185 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
8 |
3 |
17547 |
67.7 |
-0.7 |
0.526 |
0 |
0 |
0 |
0.000 |
39 |
43 |
|
[ACT]A:3016 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
17547 |
65.8 |
0.6 |
0.769 |
0 |
0 |
0 |
0.000 |
40 |
44 |
|
[ACT]A:3006 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
17547 |
65.2 |
0.2 |
0.636 |
1 |
0 |
0 |
0.005 |
41 |
45 |
|
[ACT]B:3024 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
17122 |
64.9 |
0.0 |
0.636 |
0 |
0 |
0 |
0.000 |
42 |
46 |
|
[ACT]A:3020 |
4 |
1 |
184 |
f |
A |
-x+1,y,-z+1 |
2_656 |
7 |
4 |
17547 |
62.3 |
0.4 |
0.721 |
0 |
0 |
0 |
0.000 |
43 |
47 |
|
[ACT]A:3004 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
10 |
2 |
17547 |
61.3 |
-1.2 |
0.475 |
0 |
0 |
0 |
0.024 |
44 |
48 |
|
[ACT]A:3017 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
17547 |
58.3 |
0.7 |
0.803 |
0 |
0 |
0 |
0.000 |
45 |
49 |
|
B |
6 |
2 |
17122 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
4 |
2 |
1517 |
53.9 |
-1.5 |
0.416 |
0 |
0 |
0 |
0.000 |
50 |
|
A |
6 |
2 |
17547 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
4 |
2 |
1505 |
45.8 |
-1.1 |
0.432 |
0 |
0 |
0 |
0.000 |
Average: |
49.8 |
-1.3 |
0.424 |
0 |
0 |
0 |
0.000 |
46 |
51 |
|
[ACT]B:3009 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
17547 |
52.9 |
-0.3 |
0.573 |
0 |
0 |
0 |
0.000 |
47 |
52 |
|
[NH2]D:15 |
1 |
1 |
117 |
cf |
D |
x,y,z |
1_555 |
5 |
2 |
1517 |
49.7 |
0.2 |
0.876 |
0 |
0 |
0 |
0.000 |
53 |
|
[NH2]C:15 |
1 |
1 |
117 |
cf |
C |
x,y,z |
1_555 |
5 |
2 |
1505 |
49.4 |
0.1 |
0.869 |
0 |
0 |
0 |
0.000 |
Average: |
49.5 |
0.1 |
0.873 |
0 |
0 |
0 |
0.000 |
48 |
54 |
|
[ACT]A:3020 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
17547 |
48.1 |
0.5 |
0.719 |
0 |
0 |
0 |
0.000 |
49 |
55 |
|
C |
4 |
1 |
1505 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
2 |
2 |
17547 |
46.0 |
-1.2 |
0.149 |
0 |
0 |
0 |
0.000 |
50 |
56 |
|
[MG]B:998 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
17122 |
45.7 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.138 |
57 |
|
[MG]A:998 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
17547 |
41.6 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.138 |
Average: |
43.7 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.138 |
51 |
58 |
|
[ACT]B:3015 |
1 |
1 |
185 |
f |
B |
-x+1/2,y-1/2,-z |
4_545 |
5 |
2 |
17122 |
34.0 |
-1.1 |
0.244 |
0 |
0 |
0 |
0.023 |
52 |
59 |
|
[ACT]A:3005 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
17122 |
32.1 |
0.1 |
0.785 |
0 |
0 |
0 |
0.000 |
53 |
60 |
|
[ACT]A:3004 |
3 |
1 |
183 |
◊ |
[ACT]A:3028 |
x-1/2,y+1/2,z |
3_455 |
3 |
1 |
184 |
31.6 |
0.5 |
0.802 |
0 |
0 |
0 |
0.000 |
54 |
61 |
|
[NH2]C:15 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
17547 |
30.2 |
0.6 |
0.876 |
0 |
0 |
0 |
0.000 |
62 |
|
[NH2]D:15 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
17122 |
30.0 |
0.3 |
0.723 |
0 |
0 |
0 |
0.000 |
Average: |
30.1 |
0.4 |
0.800 |
0 |
0 |
0 |
0.000 |
55 |
63 |
|
[GDP]B:999 |
4 |
1 |
567 |
f |
[MG]B:998 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.2 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.100 |
64 |
|
[GDP]A:999 |
4 |
1 |
565 |
f |
[MG]A:998 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.3 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.100 |
Average: |
29.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.100 |
56 |
65 |
|
[ACT]A:3023 |
3 |
1 |
183 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
2 |
1 |
1505 |
29.1 |
0.2 |
0.800 |
0 |
0 |
0 |
0.000 |
57 |
66 |
|
[ACT]A:3023 |
3 |
1 |
183 |
f |
[ACT]A:3013 |
x,y,z |
1_555 |
3 |
1 |
185 |
28.8 |
0.2 |
0.776 |
0 |
0 |
0 |
0.000 |
58 |
67 |
|
[ACT]B:3009 |
3 |
1 |
183 |
◊ |
[ACT]A:3010 |
x,y,z |
1_555 |
3 |
1 |
183 |
27.6 |
-0.4 |
0.639 |
0 |
0 |
0 |
0.000 |
59 |
68 |
|
[ACT]B:3008 |
2 |
1 |
184 |
f |
[ACT]B:3001 |
x,y,z |
1_555 |
3 |
1 |
184 |
27.0 |
-0.3 |
0.586 |
0 |
0 |
0 |
0.006 |
60 |
69 |
|
[ACT]A:3002 |
1 |
1 |
184 |
f |
A |
x-1/2,y+1/2,z |
3_455 |
2 |
1 |
17547 |
27.0 |
-0.7 |
0.342 |
0 |
0 |
0 |
0.014 |
61 |
70 |
|
[ACT]B:3012 |
3 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
1517 |
26.1 |
-0.4 |
0.583 |
0 |
0 |
0 |
0.049 |
62 |
71 |
|
[ACT]A:3004 |
4 |
1 |
183 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
3 |
1 |
17547 |
24.9 |
0.2 |
0.759 |
1 |
0 |
0 |
0.000 |
63 |
72 |
|
[ACT]A:3010 |
1 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
17122 |
23.5 |
-0.2 |
0.631 |
0 |
0 |
0 |
0.000 |
64 |
73 |
|
[ACT]A:3019 |
2 |
1 |
184 |
f |
[ACT]A:3013 |
x,y,z |
1_555 |
2 |
1 |
185 |
22.2 |
-0.7 |
0.500 |
0 |
0 |
0 |
0.013 |
65 |
74 |
|
[ACT]B:3001 |
1 |
1 |
184 |
f |
B |
x-1/2,y+1/2,z |
3_455 |
2 |
1 |
17122 |
21.9 |
-0.7 |
0.317 |
0 |
0 |
0 |
0.014 |
66 |
75 |
|
D |
2 |
1 |
1517 |
f |
[ACT]B:3029 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
183 |
20.5 |
-0.6 |
0.539 |
0 |
0 |
0 |
0.072 |
67 |
76 |
|
[ACT]A:3019 |
2 |
1 |
184 |
◊ |
[ACT]A:3002 |
x,y,z |
1_555 |
3 |
1 |
184 |
19.9 |
0.4 |
0.810 |
0 |
0 |
0 |
0.000 |
68 |
77 |
|
[NH2]C:15 |
1 |
1 |
117 |
◊ |
A |
-x+1,y-1,-z+1 |
2_646 |
1 |
1 |
17547 |
19.4 |
-0.1 |
0.326 |
0 |
0 |
0 |
0.000 |
69 |
78 |
|
[ACT]B:3029 |
2 |
1 |
183 |
◊ |
B |
-x,y,-z |
2_555 |
1 |
1 |
17122 |
18.3 |
0.0 |
0.672 |
0 |
0 |
0 |
0.000 |
70 |
79 |
|
[ACT]A:3013 |
3 |
1 |
185 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
17547 |
15.2 |
0.6 |
0.814 |
0 |
0 |
0 |
0.000 |
71 |
80 |
|
[ACT]A:3023 |
3 |
1 |
183 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
17547 |
14.1 |
0.7 |
0.812 |
0 |
0 |
0 |
0.000 |
72 |
81 |
|
[ACT]A:3021 |
3 |
1 |
184 |
f |
[MG]A:998 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.3 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.024 |
73 |
82 |
|
B |
1 |
1 |
17122 |
x |
B |
x,y-1,z |
1_545 |
2 |
1 |
17122 |
11.8 |
0.2 |
0.773 |
0 |
0 |
0 |
0.000 |
74 |
83 |
|
[ACT]A:3021 |
2 |
1 |
184 |
f |
[GDP]A:999 |
x,y,z |
1_555 |
2 |
1 |
565 |
11.6 |
-0.5 |
0.555 |
0 |
0 |
0 |
0.010 |
75 |
84 |
|
[ACT]B:3009 |
1 |
1 |
183 |
◊ |
[ACT]A:3005 |
x,y,z |
1_555 |
1 |
1 |
184 |
6.9 |
-0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
76 |
85 |
|
[ACT]A:3010 |
1 |
1 |
183 |
f |
[ACT]A:3005 |
x,y,z |
1_555 |
1 |
1 |
184 |
6.5 |
0.1 |
0.500 |
0 |
0 |
0 |
0.000 |
77 |
86 |
|
[ACT]B:3018 |
1 |
1 |
184 |
◊ |
[ACT]B:3001 |
x,y,z |
1_555 |
1 |
1 |
184 |
5.8 |
-0.2 |
0.500 |
0 |
0 |
0 |
0.000 |
78 |
87 |
|
A |
3 |
2 |
17547 |
◊ |
[ACT]A:3022 |
x,y-1,z |
1_545 |
1 |
1 |
184 |
4.8 |
-0.1 |
0.553 |
0 |
0 |
0 |
0.000 |
79 |
88 |
|
[GDP]B:999 |
1 |
1 |
567 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
2 |
1 |
17122 |
4.4 |
-0.3 |
0.451 |
0 |
0 |
0 |
0.000 |
80 |
89 |
|
B |
2 |
1 |
17122 |
◊ |
[ACT]B:3029 |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
183 |
4.0 |
-0.1 |
0.599 |
0 |
0 |
0 |
0.002 |
81 |
90 |
|
[ACT]A:3025 |
1 |
1 |
183 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
17547 |
3.0 |
0.1 |
0.640 |
0 |
0 |
0 |
0.000 |
82 |
91 |
|
[ACT]A:3004 |
1 |
1 |
183 |
◊ |
[ACT]A:3002 |
x,y,z |
1_555 |
1 |
1 |
184 |
2.8 |
-0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
83 |
92 |
|
[ACT]A:3013 |
1 |
1 |
185 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
1505 |
2.0 |
-0.0 |
0.567 |
0 |
0 |
0 |
0.000 |
|