## |
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 |
431 |
110 |
24653 |
◊ |
A |
x,y,z |
1_555 |
431 |
111 |
24663 |
3972.4 |
-33.9 |
0.058 |
41 |
20 |
0 |
1.000 |
2 |
2 |
|
B |
42 |
13 |
24653 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
43 |
14 |
24663 |
404.3 |
-0.0 |
0.682 |
3 |
5 |
0 |
0.000 |
3 |
3 |
|
B |
44 |
12 |
24653 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
38 |
13 |
24653 |
339.1 |
1.3 |
0.615 |
0 |
0 |
0 |
0.000 |
4 |
4 |
|
[NDQ]A:702 |
27 |
1 |
593 |
f |
A |
x,y,z |
1_555 |
50 |
20 |
24663 |
288.6 |
-4.9 |
0.326 |
4 |
0 |
0 |
0.287 |
5 |
|
[NDQ]B:701 |
26 |
1 |
595 |
f |
B |
x,y,z |
1_555 |
50 |
20 |
24653 |
284.4 |
-4.9 |
0.325 |
4 |
0 |
0 |
0.287 |
Average: |
286.5 |
-4.9 |
0.326 |
4 |
0 |
0 |
0.287 |
5 |
6 |
|
A |
30 |
9 |
24663 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
24 |
10 |
24653 |
234.6 |
-1.6 |
0.434 |
0 |
2 |
0 |
0.000 |
6 |
7 |
|
B |
29 |
10 |
24653 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
22 |
9 |
24663 |
218.6 |
1.1 |
0.777 |
0 |
0 |
0 |
0.000 |
7 |
8 |
|
B |
29 |
12 |
24653 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
18 |
8 |
24663 |
210.3 |
0.9 |
0.739 |
0 |
2 |
0 |
0.000 |
8 |
9 |
|
[NDQ]B:701 |
17 |
1 |
595 |
◊ |
A |
x,y,z |
1_555 |
27 |
10 |
24663 |
170.2 |
2.7 |
0.573 |
0 |
0 |
0 |
0.000 |
10 |
|
[NDQ]A:702 |
18 |
1 |
593 |
◊ |
B |
x,y,z |
1_555 |
28 |
10 |
24653 |
169.7 |
2.7 |
0.584 |
0 |
0 |
0 |
0.000 |
Average: |
169.9 |
2.7 |
0.579 |
0 |
0 |
0 |
0.000 |
9 |
11 |
|
[5SP]B:703 |
12 |
1 |
360 |
◊ |
B |
x,y,z |
1_555 |
18 |
10 |
24653 |
162.8 |
4.4 |
0.751 |
6 |
0 |
0 |
0.000 |
10 |
12 |
|
[5SP]A:701 |
12 |
1 |
361 |
◊ |
A |
x,y,z |
1_555 |
20 |
10 |
24663 |
148.2 |
3.8 |
0.730 |
6 |
0 |
0 |
0.000 |
11 |
13 |
|
B |
15 |
6 |
24653 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
17 |
7 |
24663 |
136.5 |
0.5 |
0.702 |
0 |
1 |
0 |
0.000 |
12 |
14 |
|
[EDO]B:712 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
20 |
8 |
24653 |
119.9 |
3.5 |
0.487 |
2 |
0 |
0 |
0.000 |
13 |
15 |
|
[EDO]A:710 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
18 |
11 |
24663 |
118.1 |
4.0 |
0.670 |
3 |
0 |
0 |
0.000 |
16 |
|
[EDO]B:711 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
19 |
11 |
24653 |
118.0 |
4.1 |
0.676 |
3 |
0 |
0 |
0.000 |
Average: |
118.0 |
4.1 |
0.673 |
3 |
0 |
0 |
0.000 |
14 |
17 |
|
A |
12 |
6 |
24663 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
13 |
6 |
24663 |
117.6 |
-0.2 |
0.602 |
1 |
0 |
0 |
0.000 |
15 |
18 |
|
[EDO]A:707 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
24663 |
113.7 |
6.6 |
0.853 |
1 |
0 |
0 |
0.000 |
16 |
19 |
|
[EDO]B:707 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
24653 |
111.2 |
6.7 |
0.855 |
2 |
0 |
0 |
0.000 |
17 |
20 |
|
[EDO]A:705 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
24663 |
111.0 |
4.2 |
0.527 |
3 |
0 |
0 |
0.000 |
18 |
21 |
|
[EDO]A:709 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
24663 |
109.3 |
3.8 |
0.495 |
0 |
0 |
0 |
0.000 |
19 |
22 |
|
[EDO]B:704 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
24653 |
104.5 |
4.2 |
0.687 |
0 |
0 |
0 |
0.000 |
20 |
23 |
|
[EDO]A:706 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
24663 |
102.2 |
2.9 |
0.411 |
0 |
0 |
0 |
0.000 |
21 |
24 |
|
[EDO]A:704 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
24663 |
102.2 |
4.2 |
0.690 |
0 |
0 |
0 |
0.000 |
22 |
25 |
|
[EDO]B:713 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
24653 |
101.8 |
3.5 |
0.512 |
1 |
0 |
0 |
0.000 |
23 |
26 |
|
[EDO]B:710 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
20 |
7 |
24653 |
101.4 |
3.0 |
0.416 |
0 |
0 |
0 |
0.000 |
24 |
27 |
|
[EDO]A:714 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
24663 |
100.0 |
3.4 |
0.477 |
0 |
0 |
0 |
0.000 |
25 |
28 |
|
[EDO]A:712 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
24663 |
98.9 |
2.8 |
0.352 |
0 |
0 |
0 |
0.000 |
29 |
|
[EDO]B:715 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
24653 |
98.9 |
2.8 |
0.358 |
0 |
0 |
0 |
0.000 |
Average: |
98.9 |
2.8 |
0.355 |
0 |
0 |
0 |
0.000 |
26 |
30 |
|
[EDO]A:716 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
24663 |
98.7 |
3.6 |
0.513 |
1 |
0 |
0 |
0.000 |
27 |
31 |
|
[5SP]B:703 |
9 |
1 |
360 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
24663 |
96.7 |
-1.5 |
0.173 |
3 |
0 |
0 |
0.061 |
28 |
32 |
|
A |
20 |
7 |
24663 |
◊ |
[EDO]B:714 |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
184 |
92.0 |
2.2 |
0.409 |
0 |
0 |
0 |
0.000 |
29 |
33 |
|
[5SP]A:701 |
9 |
1 |
361 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
24653 |
90.5 |
-1.3 |
0.179 |
3 |
0 |
0 |
0.057 |
30 |
34 |
|
[EDO]B:708 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
24653 |
88.8 |
2.7 |
0.312 |
1 |
0 |
0 |
0.000 |
31 |
35 |
|
[EDO]A:711 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
24663 |
86.2 |
2.1 |
0.278 |
1 |
0 |
0 |
0.000 |
32 |
36 |
|
[EDO]A:715 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
24653 |
79.4 |
2.9 |
0.302 |
0 |
0 |
0 |
0.000 |
33 |
37 |
|
[EDO]B:706 |
4 |
1 |
184 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
18 |
6 |
24653 |
79.2 |
2.0 |
0.373 |
0 |
0 |
0 |
0.000 |
34 |
38 |
|
[EDO]A:715 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
24663 |
78.4 |
1.8 |
0.765 |
0 |
0 |
0 |
0.000 |
35 |
39 |
|
[EDO]A:713 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
10 |
6 |
24663 |
76.7 |
2.9 |
0.331 |
0 |
0 |
0 |
0.000 |
36 |
40 |
|
[EDO]A:708 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
24653 |
76.3 |
1.4 |
0.243 |
0 |
0 |
0 |
0.000 |
37 |
41 |
|
[EDO]B:716 |
4 |
1 |
183 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
7 |
3 |
24653 |
76.0 |
1.8 |
0.194 |
0 |
0 |
0 |
0.000 |
38 |
42 |
|
[EDO]B:709 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
24653 |
71.5 |
1.8 |
0.290 |
0 |
0 |
0 |
0.000 |
39 |
43 |
|
B |
14 |
3 |
24653 |
◊ |
[EDO]B:705 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
185 |
71.0 |
1.9 |
0.388 |
1 |
0 |
0 |
0.000 |
40 |
44 |
|
A |
8 |
4 |
24663 |
x |
A |
-x+1/2,-y,z-1/2 |
2_554 |
10 |
5 |
24663 |
67.8 |
-1.7 |
0.195 |
0 |
0 |
0 |
0.000 |
41 |
45 |
|
B |
9 |
4 |
24653 |
f |
[EDO]A:713 |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
184 |
66.8 |
1.9 |
0.242 |
0 |
0 |
0 |
0.000 |
42 |
46 |
|
[NA]B:717 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
9 |
24653 |
64.0 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.532 |
47 |
|
[NA]A:717 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
5 |
24663 |
63.6 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.532 |
Average: |
63.8 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.532 |
43 |
48 |
|
[EDO]B:714 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
24653 |
55.6 |
1.7 |
0.873 |
1 |
0 |
0 |
0.000 |
44 |
49 |
|
[EDO]B:706 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
24653 |
51.7 |
1.2 |
0.837 |
1 |
0 |
0 |
0.000 |
45 |
50 |
|
[EDO]B:709 |
4 |
1 |
184 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
7 |
4 |
24653 |
51.6 |
1.3 |
0.241 |
0 |
0 |
0 |
0.000 |
46 |
51 |
|
[NDQ]A:702 |
8 |
1 |
593 |
f |
[5SP]B:703 |
x,y,z |
1_555 |
4 |
1 |
360 |
44.5 |
0.4 |
0.428 |
1 |
0 |
0 |
0.000 |
47 |
52 |
|
[EDO]A:708 |
2 |
1 |
183 |
◊ |
[5SP]A:701 |
x,y,z |
1_555 |
7 |
1 |
361 |
41.9 |
0.9 |
0.281 |
0 |
0 |
0 |
0.000 |
48 |
53 |
|
[NDQ]B:701 |
8 |
1 |
595 |
f |
[5SP]A:701 |
x,y,z |
1_555 |
4 |
1 |
361 |
41.6 |
0.4 |
0.435 |
1 |
0 |
0 |
0.000 |
49 |
54 |
|
[EDO]A:708 |
3 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
24663 |
35.8 |
0.8 |
0.180 |
0 |
0 |
0 |
0.000 |
50 |
55 |
|
[CA]B:702 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
24653 |
34.0 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.333 |
56 |
|
[CA]A:703 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
24663 |
33.2 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.333 |
Average: |
33.6 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.333 |
51 |
57 |
|
A |
6 |
2 |
24663 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
4 |
2 |
24663 |
33.3 |
0.2 |
0.672 |
0 |
0 |
0 |
0.000 |
52 |
58 |
|
[EDO]B:716 |
3 |
1 |
183 |
◊ |
[EDO]B:705 |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
185 |
33.3 |
1.1 |
1.000 |
1 |
0 |
0 |
0.000 |
53 |
59 |
|
[EDO]B:716 |
2 |
1 |
183 |
f |
[EDO]B:706 |
x,y,z |
1_555 |
2 |
1 |
184 |
28.3 |
1.7 |
0.707 |
0 |
0 |
0 |
0.000 |
54 |
60 |
|
[EDO]B:705 |
2 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
2 |
2 |
24653 |
28.0 |
0.4 |
0.536 |
0 |
0 |
0 |
0.000 |
55 |
61 |
|
[EDO]B:709 |
2 |
1 |
184 |
◊ |
[EDO]B:705 |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
185 |
27.2 |
1.7 |
0.707 |
0 |
0 |
0 |
0.000 |
56 |
62 |
|
[CA]B:702 |
1 |
1 |
85 |
f |
[NDQ]B:701 |
x,y,z |
1_555 |
3 |
1 |
595 |
26.1 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.257 |
63 |
|
[CA]A:703 |
1 |
1 |
85 |
f |
[NDQ]A:702 |
x,y,z |
1_555 |
3 |
1 |
593 |
25.9 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.257 |
Average: |
26.0 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.257 |
57 |
64 |
|
[EDO]B:716 |
1 |
1 |
183 |
f |
[EDO]B:709 |
x,y,z |
1_555 |
2 |
1 |
184 |
15.0 |
0.6 |
1.000 |
0 |
0 |
0 |
0.000 |
58 |
65 |
|
B |
2 |
1 |
24653 |
f |
[EDO]B:712 |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
182 |
11.4 |
0.5 |
0.953 |
0 |
0 |
0 |
0.000 |
59 |
66 |
|
[EDO]B:716 |
1 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
24653 |
8.0 |
-0.0 |
0.446 |
0 |
0 |
0 |
0.000 |
60 |
67 |
|
A |
1 |
1 |
24663 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
1 |
24653 |
5.9 |
0.1 |
0.631 |
0 |
0 |
0 |
0.000 |
61 |
68 |
|
[EDO]B:710 |
1 |
1 |
183 |
f |
A |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
24663 |
3.4 |
0.2 |
0.927 |
0 |
0 |
0 |
0.000 |
|