## |
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 |
|
G |
391 |
106 |
20351 |
◊ |
E |
x,y,z |
1_555 |
387 |
107 |
20033 |
3846.1 |
-28.1 |
0.211 |
65 |
18 |
0 |
0.178 |
2 |
|
B |
395 |
107 |
20183 |
◊ |
A |
x,y,z |
1_555 |
387 |
106 |
19794 |
3832.5 |
-28.0 |
0.266 |
63 |
20 |
0 |
0.178 |
Average: |
3839.3 |
-28.0 |
0.239 |
64 |
19 |
0 |
0.178 |
2 |
3 |
|
[NAD]A:505 |
44 |
1 |
866 |
f |
A |
x,y,z |
1_555 |
76 |
32 |
19794 |
590.7 |
-10.1 |
0.261 |
8 |
0 |
0 |
0.074 |
4 |
|
[NAD]E:503 |
44 |
1 |
859 |
f |
E |
x,y,z |
1_555 |
77 |
32 |
20033 |
588.6 |
-10.0 |
0.233 |
8 |
0 |
0 |
0.074 |
5 |
|
[NAD]B:503 |
44 |
1 |
860 |
f |
B |
x,y,z |
1_555 |
80 |
33 |
20183 |
583.7 |
-8.9 |
0.364 |
6 |
0 |
0 |
0.074 |
6 |
|
[NAD]G:504 |
44 |
1 |
858 |
f |
G |
x,y,z |
1_555 |
76 |
33 |
20351 |
576.9 |
-8.5 |
0.363 |
6 |
0 |
0 |
0.074 |
Average: |
585.0 |
-9.4 |
0.305 |
7 |
0 |
0 |
0.074 |
3 |
7 |
|
B |
60 |
17 |
20183 |
◊ |
G |
-x+1,y-1/2,-z |
2_645 |
64 |
20 |
20351 |
561.8 |
-6.0 |
0.281 |
3 |
4 |
0 |
0.000 |
4 |
8 |
|
G |
44 |
16 |
20351 |
◊ |
A |
x,y,z-1 |
1_554 |
49 |
12 |
19794 |
466.6 |
2.4 |
0.857 |
5 |
5 |
0 |
0.000 |
9 |
|
E |
50 |
13 |
20033 |
◊ |
B |
x,y,z-1 |
1_554 |
49 |
16 |
20183 |
457.7 |
2.4 |
0.834 |
5 |
1 |
0 |
0.000 |
Average: |
462.1 |
2.4 |
0.845 |
5 |
3 |
0 |
0.000 |
5 |
10 |
|
E |
36 |
11 |
20033 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
35 |
13 |
19794 |
316.0 |
-2.8 |
0.401 |
1 |
0 |
0 |
0.000 |
6 |
11 |
|
[1DD]E:504 |
20 |
1 |
435 |
f |
E |
x,y,z |
1_555 |
47 |
17 |
20033 |
297.8 |
2.1 |
0.390 |
1 |
0 |
0 |
0.000 |
12 |
|
[1DD]G:505 |
20 |
1 |
433 |
f |
G |
x,y,z |
1_555 |
44 |
17 |
20351 |
297.0 |
2.0 |
0.382 |
1 |
0 |
0 |
0.000 |
13 |
|
[1DD]B:504 |
20 |
1 |
432 |
f |
B |
x,y,z |
1_555 |
45 |
17 |
20183 |
296.7 |
2.0 |
0.386 |
0 |
0 |
0 |
0.000 |
14 |
|
[1DD]A:506 |
20 |
1 |
436 |
f |
A |
x,y,z |
1_555 |
47 |
18 |
19794 |
296.1 |
2.2 |
0.406 |
0 |
0 |
0 |
0.000 |
Average: |
296.9 |
2.1 |
0.391 |
1 |
0 |
0 |
0.000 |
7 |
15 |
|
E |
29 |
7 |
20033 |
◊ |
B |
-x+2,y-1/2,-z |
2_745 |
25 |
9 |
20183 |
242.9 |
-0.6 |
0.603 |
0 |
2 |
0 |
0.000 |
8 |
16 |
|
A |
31 |
12 |
19794 |
◊ |
B |
x-1,y,z |
1_455 |
26 |
8 |
20183 |
236.1 |
1.9 |
0.830 |
2 |
4 |
0 |
0.000 |
9 |
17 |
|
B |
28 |
10 |
20183 |
◊ |
E |
x-1,y,z |
1_455 |
24 |
8 |
20033 |
227.6 |
4.1 |
0.942 |
8 |
2 |
0 |
0.000 |
18 |
|
A |
19 |
7 |
19794 |
◊ |
G |
x-1,y,z |
1_455 |
23 |
10 |
20351 |
204.1 |
3.2 |
0.913 |
8 |
1 |
0 |
0.000 |
Average: |
215.8 |
3.7 |
0.928 |
8 |
2 |
0 |
0.000 |
10 |
19 |
|
G |
17 |
7 |
20351 |
◊ |
E |
x-1,y,z |
1_455 |
19 |
10 |
20033 |
134.5 |
-0.1 |
0.638 |
0 |
0 |
0 |
0.000 |
11 |
20 |
|
[K]G:501 |
1 |
1 |
216 |
f |
G |
x,y,z |
1_555 |
21 |
10 |
20351 |
132.5 |
-89.3 |
0.000 |
0 |
0 |
0 |
0.266 |
21 |
|
[K]B:501 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
21 |
10 |
20183 |
131.9 |
-89.0 |
0.000 |
0 |
0 |
0 |
0.266 |
Average: |
132.2 |
-89.1 |
0.000 |
0 |
0 |
0 |
0.266 |
12 |
22 |
|
[K]A:501 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
19794 |
113.9 |
-74.8 |
0.000 |
0 |
0 |
0 |
0.183 |
13 |
23 |
|
[K]A:502 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
19794 |
113.2 |
-75.2 |
0.000 |
0 |
0 |
0 |
0.440 |
24 |
|
[K]G:502 |
1 |
1 |
216 |
f |
G |
x,y,z |
1_555 |
17 |
6 |
20351 |
111.3 |
-72.4 |
0.000 |
0 |
0 |
0 |
0.440 |
25 |
|
[K]B:502 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
20183 |
110.9 |
-74.2 |
0.000 |
0 |
0 |
0 |
0.440 |
26 |
|
[K]E:501 |
1 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
17 |
6 |
20033 |
109.7 |
-75.1 |
0.000 |
0 |
0 |
0 |
0.440 |
Average: |
111.3 |
-74.2 |
0.000 |
0 |
0 |
0 |
0.440 |
14 |
27 |
|
A |
12 |
5 |
19794 |
◊ |
G |
-x+1,y-1/2,-z |
2_645 |
15 |
5 |
20351 |
94.3 |
-1.4 |
0.399 |
0 |
1 |
0 |
0.000 |
15 |
28 |
|
[ACT]G:503 |
4 |
1 |
183 |
f |
G |
x,y,z |
1_555 |
15 |
7 |
20351 |
87.0 |
-0.5 |
0.612 |
2 |
0 |
0 |
0.004 |
16 |
29 |
|
[ACT]A:504 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
20183 |
86.9 |
-0.3 |
0.692 |
2 |
0 |
0 |
0.003 |
17 |
30 |
|
[ACT]E:502 |
4 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
15 |
7 |
20033 |
84.3 |
-0.4 |
0.670 |
2 |
0 |
0 |
0.004 |
18 |
31 |
|
G |
12 |
4 |
20351 |
◊ |
B |
-x+2,y-1/2,-z |
2_745 |
8 |
4 |
20183 |
84.3 |
0.1 |
0.601 |
1 |
0 |
0 |
0.000 |
19 |
32 |
|
[ACT]A:503 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
19794 |
84.0 |
-0.4 |
0.618 |
2 |
0 |
0 |
0.003 |
20 |
33 |
|
E |
11 |
4 |
20033 |
◊ |
A |
x,y,z-1 |
1_554 |
10 |
3 |
19794 |
78.5 |
-0.3 |
0.586 |
0 |
0 |
0 |
0.000 |
21 |
34 |
|
G |
9 |
3 |
20351 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
7 |
3 |
19794 |
69.6 |
1.1 |
0.813 |
2 |
0 |
0 |
0.000 |
22 |
35 |
|
[ACT]E:502 |
4 |
1 |
183 |
◊ |
G |
x,y,z |
1_555 |
9 |
3 |
20351 |
69.5 |
0.2 |
0.797 |
3 |
0 |
0 |
0.003 |
23 |
36 |
|
[ACT]A:503 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
14 |
3 |
20183 |
68.5 |
0.2 |
0.777 |
2 |
0 |
0 |
0.002 |
24 |
37 |
|
[ACT]G:503 |
4 |
1 |
183 |
◊ |
E |
x,y,z |
1_555 |
11 |
3 |
20033 |
64.6 |
0.2 |
0.755 |
2 |
0 |
0 |
0.002 |
38 |
|
[ACT]A:504 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
12 |
3 |
19794 |
64.3 |
0.2 |
0.779 |
2 |
0 |
0 |
0.002 |
Average: |
64.4 |
0.2 |
0.767 |
2 |
0 |
0 |
0.002 |
25 |
39 |
|
E |
3 |
1 |
20033 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
20183 |
34.2 |
-0.6 |
0.348 |
0 |
0 |
0 |
0.000 |
26 |
40 |
|
[1DD]G:505 |
3 |
1 |
433 |
f |
[NAD]G:504 |
x,y,z |
1_555 |
4 |
1 |
858 |
33.1 |
0.9 |
0.618 |
0 |
0 |
0 |
0.000 |
41 |
|
[1DD]A:506 |
3 |
1 |
436 |
f |
[NAD]A:505 |
x,y,z |
1_555 |
4 |
1 |
866 |
32.8 |
0.9 |
0.611 |
0 |
0 |
0 |
0.000 |
42 |
|
[1DD]E:504 |
3 |
1 |
435 |
f |
[NAD]E:503 |
x,y,z |
1_555 |
4 |
1 |
859 |
32.0 |
0.9 |
0.607 |
0 |
0 |
0 |
0.000 |
43 |
|
[1DD]B:504 |
3 |
1 |
432 |
f |
[NAD]B:503 |
x,y,z |
1_555 |
4 |
1 |
860 |
30.9 |
0.8 |
0.602 |
0 |
0 |
0 |
0.000 |
Average: |
32.2 |
0.9 |
0.610 |
0 |
0 |
0 |
0.000 |
27 |
44 |
|
B |
3 |
1 |
20183 |
◊ |
[NAD]G:504 |
-x+1,y-1/2,-z |
2_645 |
5 |
1 |
858 |
28.4 |
-0.5 |
0.196 |
0 |
0 |
0 |
0.000 |
28 |
45 |
|
[K]E:501 |
1 |
1 |
216 |
◊ |
G |
x,y,z |
1_555 |
3 |
2 |
20351 |
27.3 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.043 |
46 |
|
[K]A:502 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20183 |
19.2 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.043 |
47 |
|
[K]B:502 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
19794 |
7.4 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.043 |
48 |
|
[K]G:502 |
1 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
20033 |
3.4 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.043 |
Average: |
14.3 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.043 |
29 |
49 |
|
G |
7 |
4 |
20351 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
20183 |
26.5 |
-0.3 |
0.560 |
0 |
0 |
0 |
0.000 |
30 |
50 |
|
B |
3 |
1 |
20183 |
◊ |
G |
x-1,y,z+1 |
1_456 |
3 |
1 |
20351 |
19.8 |
-0.4 |
0.398 |
0 |
0 |
0 |
0.000 |
31 |
51 |
|
B |
2 |
1 |
20183 |
◊ |
E |
x-1,y,z+1 |
1_456 |
5 |
1 |
20033 |
19.5 |
-0.2 |
0.386 |
0 |
0 |
0 |
0.000 |
32 |
52 |
|
A |
1 |
1 |
19794 |
◊ |
E |
x-1,y,z+1 |
1_456 |
1 |
1 |
20033 |
14.5 |
0.7 |
0.915 |
0 |
0 |
0 |
0.000 |
33 |
53 |
|
B |
2 |
1 |
20183 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
20183 |
8.9 |
-0.0 |
0.541 |
0 |
0 |
0 |
0.000 |
34 |
54 |
|
E |
1 |
1 |
20033 |
◊ |
[NAD]A:505 |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
866 |
7.8 |
-0.2 |
0.364 |
0 |
0 |
0 |
0.000 |
35 |
55 |
|
B |
2 |
1 |
20183 |
◊ |
E |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
20033 |
5.1 |
-0.0 |
0.570 |
0 |
0 |
0 |
0.000 |
|