## |
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 |
84 |
24 |
15329 |
◊ |
A |
x,y,z |
1_555 |
75 |
22 |
15379 |
748.7 |
-2.5 |
0.483 |
17 |
10 |
0 |
0.000 |
2 |
2 |
|
A |
46 |
16 |
15379 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
60 |
21 |
15329 |
464.8 |
-0.1 |
0.626 |
4 |
5 |
0 |
0.000 |
3 |
3 |
|
A |
49 |
14 |
15379 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
37 |
12 |
15329 |
383.8 |
0.1 |
0.608 |
6 |
3 |
0 |
0.000 |
4 |
4 |
|
[4DE]A:601 |
17 |
1 |
493 |
f |
A |
x,y,z |
1_555 |
47 |
17 |
15379 |
293.6 |
0.2 |
0.252 |
1 |
0 |
0 |
0.000 |
5 |
5 |
|
[4DE]B:602 |
20 |
1 |
501 |
f |
B |
x,y,z |
1_555 |
46 |
17 |
15329 |
292.3 |
1.1 |
0.262 |
1 |
0 |
0 |
0.000 |
6 |
6 |
|
B |
23 |
6 |
15329 |
x |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
28 |
9 |
15329 |
222.7 |
0.9 |
0.666 |
4 |
1 |
0 |
0.000 |
7 |
7 |
|
B |
22 |
9 |
15329 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
27 |
10 |
15379 |
212.7 |
2.1 |
0.811 |
2 |
4 |
0 |
0.000 |
8 |
8 |
|
[B3P]B:801 |
13 |
1 |
490 |
◊ |
B |
x,y,z |
1_555 |
21 |
7 |
15329 |
184.2 |
3.6 |
0.463 |
1 |
0 |
0 |
0.000 |
9 |
9 |
|
[EDO]B:715 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
21 |
9 |
15329 |
115.7 |
3.8 |
0.641 |
1 |
0 |
0 |
0.000 |
10 |
10 |
|
[EDO]B:708 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
15329 |
114.3 |
3.5 |
0.592 |
0 |
0 |
0 |
0.000 |
11 |
11 |
|
[EDO]A:709 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
15379 |
111.5 |
3.5 |
0.570 |
0 |
0 |
0 |
0.000 |
12 |
12 |
|
[EDO]A:707 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
15379 |
109.3 |
3.5 |
0.417 |
2 |
0 |
0 |
0.000 |
13 |
13 |
|
[EDO]A:710 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
15379 |
108.0 |
2.4 |
0.317 |
1 |
0 |
0 |
0.000 |
14 |
14 |
|
[EDO]A:706 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
15 |
8 |
15379 |
107.6 |
4.1 |
0.515 |
3 |
0 |
0 |
0.000 |
15 |
15 |
|
A |
13 |
4 |
15379 |
f |
[B3P]B:801 |
-x+1/2,-y+1,z-1/2 |
2_564 |
11 |
1 |
490 |
106.7 |
1.2 |
0.272 |
2 |
0 |
0 |
0.000 |
16 |
16 |
|
[EDO]B:704 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
15329 |
106.2 |
2.6 |
0.339 |
1 |
0 |
0 |
0.000 |
17 |
17 |
|
[EDO]B:723 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
15329 |
105.5 |
3.1 |
0.407 |
2 |
0 |
0 |
0.000 |
18 |
18 |
|
[EDO]A:703 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
15379 |
105.2 |
2.7 |
0.433 |
1 |
0 |
0 |
0.000 |
19 |
19 |
|
[EDO]B:718 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
15329 |
104.9 |
3.5 |
0.482 |
3 |
0 |
0 |
0.000 |
20 |
20 |
|
[EDO]A:705 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
15379 |
103.6 |
2.9 |
0.443 |
2 |
0 |
0 |
0.000 |
21 |
21 |
|
[EDO]B:701 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
15329 |
103.3 |
3.9 |
0.531 |
2 |
0 |
0 |
0.000 |
22 |
22 |
|
B |
12 |
5 |
15329 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
16 |
5 |
15379 |
99.5 |
-1.0 |
0.407 |
0 |
0 |
0 |
0.000 |
23 |
23 |
|
[EDO]A:716 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
20 |
6 |
15379 |
98.9 |
2.8 |
0.451 |
5 |
0 |
0 |
0.000 |
24 |
24 |
|
[EDO]B:713 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
19 |
8 |
15329 |
98.6 |
3.0 |
0.473 |
1 |
0 |
0 |
0.000 |
25 |
25 |
|
[EDO]B:724 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
15329 |
96.8 |
2.0 |
0.219 |
0 |
0 |
0 |
0.000 |
26 |
26 |
|
[EDO]A:719 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
15379 |
92.1 |
3.0 |
0.500 |
1 |
0 |
0 |
0.000 |
27 |
27 |
|
[EDO]A:717 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
15379 |
89.4 |
2.5 |
0.390 |
0 |
0 |
0 |
0.000 |
28 |
28 |
|
[EDO]A:711 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
15379 |
89.2 |
1.2 |
0.147 |
0 |
0 |
0 |
0.000 |
29 |
29 |
|
[EDO]A:702 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
15379 |
85.2 |
3.0 |
0.303 |
3 |
0 |
0 |
0.000 |
30 |
30 |
|
[EDO]B:714 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
15329 |
83.9 |
2.4 |
0.393 |
0 |
0 |
0 |
0.000 |
31 |
31 |
|
[EDO]B:712 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
15329 |
82.1 |
2.6 |
0.287 |
3 |
0 |
0 |
0.000 |
32 |
32 |
|
A |
11 |
4 |
15379 |
◊ |
[EDO]B:721 |
-x+1/2,-y+1,z-1/2 |
2_564 |
4 |
1 |
182 |
74.3 |
2.0 |
0.193 |
0 |
0 |
0 |
0.000 |
33 |
33 |
|
[EDO]A:720 |
4 |
1 |
183 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
10 |
5 |
15329 |
74.2 |
2.4 |
0.908 |
2 |
0 |
0 |
0.000 |
34 |
34 |
|
A |
7 |
2 |
15379 |
x |
A |
x-1/2,-y+3/2,-z |
4_465 |
10 |
5 |
15379 |
73.4 |
2.4 |
0.906 |
1 |
1 |
0 |
0.000 |
35 |
35 |
|
[EDO]A:720 |
3 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
15379 |
66.5 |
2.2 |
0.554 |
1 |
0 |
0 |
0.000 |
36 |
36 |
|
[MG]A:1002 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
15379 |
60.5 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.030 |
37 |
|
[MG]B:1002 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
15329 |
60.0 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.030 |
Average: |
60.3 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.030 |
37 |
38 |
|
A |
5 |
3 |
15379 |
◊ |
[EDO]B:722 |
-x+1/2,-y+1,z-1/2 |
2_564 |
4 |
1 |
182 |
57.5 |
2.0 |
0.277 |
0 |
0 |
0 |
0.000 |
38 |
39 |
|
[EDO]B:721 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
15329 |
51.6 |
1.7 |
0.839 |
0 |
0 |
0 |
0.000 |
39 |
40 |
|
[EDO]B:722 |
3 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
15329 |
48.8 |
0.5 |
0.608 |
0 |
0 |
0 |
0.000 |
40 |
41 |
|
[ZN]B:1001 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
15329 |
46.0 |
-33.1 |
0.000 |
0 |
0 |
0 |
0.114 |
42 |
|
[ZN]A:1001 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
15379 |
45.9 |
-33.2 |
0.000 |
0 |
0 |
0 |
0.114 |
Average: |
46.0 |
-33.1 |
0.000 |
0 |
0 |
0 |
0.114 |
41 |
43 |
|
[EDO]A:716 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
15329 |
42.3 |
2.0 |
0.929 |
0 |
0 |
0 |
0.000 |
42 |
44 |
|
[EDO]A:702 |
3 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
15329 |
40.5 |
1.2 |
0.723 |
0 |
0 |
0 |
0.000 |
43 |
45 |
|
[EDO]B:712 |
3 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
15379 |
39.8 |
1.1 |
0.712 |
0 |
0 |
0 |
0.000 |
44 |
46 |
|
A |
6 |
3 |
15379 |
◊ |
[EDO]B:714 |
-x+1/2,-y+1,z-1/2 |
2_564 |
4 |
1 |
184 |
39.6 |
1.0 |
0.795 |
0 |
0 |
0 |
0.000 |
45 |
47 |
|
A |
3 |
1 |
15379 |
f |
[EDO]B:701 |
-x+1/2,-y+1,z-1/2 |
2_564 |
2 |
1 |
183 |
37.1 |
0.6 |
0.605 |
1 |
0 |
0 |
0.000 |
46 |
48 |
|
[EDO]B:724 |
2 |
1 |
183 |
f |
[EDO]B:723 |
x,y,z |
1_555 |
3 |
1 |
185 |
33.8 |
1.6 |
0.707 |
0 |
0 |
0 |
0.000 |
47 |
49 |
|
[EDO]A:710 |
4 |
1 |
184 |
f |
[4DE]A:601 |
x,y,z |
1_555 |
3 |
1 |
493 |
31.4 |
1.3 |
0.743 |
0 |
0 |
0 |
0.000 |
48 |
50 |
|
B |
7 |
4 |
15329 |
x |
B |
x-1,y,z |
1_455 |
6 |
4 |
15329 |
28.3 |
0.1 |
0.600 |
0 |
0 |
0 |
0.000 |
49 |
51 |
|
[EDO]B:704 |
4 |
1 |
183 |
f |
[4DE]B:602 |
x,y,z |
1_555 |
3 |
1 |
501 |
25.7 |
0.9 |
0.731 |
0 |
0 |
0 |
0.000 |
50 |
52 |
|
[EDO]B:722 |
1 |
1 |
182 |
f |
[EDO]B:721 |
x,y,z |
1_555 |
2 |
1 |
182 |
22.5 |
1.1 |
0.707 |
0 |
0 |
0 |
0.000 |
51 |
53 |
|
[EDO]B:718 |
2 |
1 |
183 |
◊ |
[EDO]B:713 |
x,y,z |
1_555 |
2 |
1 |
183 |
21.8 |
0.9 |
1.000 |
0 |
0 |
0 |
0.000 |
52 |
54 |
|
A |
6 |
3 |
15379 |
f |
[EDO]B:713 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
183 |
19.5 |
0.7 |
0.901 |
0 |
0 |
0 |
0.000 |
53 |
55 |
|
[EDO]A:711 |
1 |
1 |
185 |
f |
[4DE]A:601 |
x,y,z |
1_555 |
3 |
1 |
493 |
19.3 |
-0.1 |
0.623 |
0 |
0 |
0 |
0.000 |
54 |
56 |
|
[EDO]A:720 |
3 |
1 |
183 |
◊ |
[EDO]B:713 |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
183 |
18.8 |
0.9 |
1.000 |
0 |
0 |
0 |
0.000 |
55 |
57 |
|
A |
2 |
2 |
15379 |
◊ |
[EDO]B:718 |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
183 |
16.1 |
0.2 |
0.486 |
0 |
0 |
0 |
0.000 |
56 |
58 |
|
[EDO]B:722 |
3 |
1 |
182 |
f |
[EDO]B:714 |
x,y,z |
1_555 |
3 |
1 |
184 |
15.5 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
57 |
59 |
|
[MG]B:1002 |
1 |
1 |
98 |
f |
[ZN]B:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.0 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.021 |
58 |
60 |
|
[MG]A:1002 |
1 |
1 |
98 |
f |
[ZN]A:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.0 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.025 |
59 |
61 |
|
[EDO]A:719 |
3 |
1 |
184 |
◊ |
[EDO]B:714 |
-x+1/2,-y+1,z-1/2 |
2_564 |
2 |
1 |
184 |
14.7 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
60 |
62 |
|
[EDO]A:719 |
1 |
1 |
184 |
f |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
2 |
1 |
15329 |
12.2 |
-0.0 |
0.575 |
0 |
0 |
0 |
0.000 |
61 |
63 |
|
[EDO]A:703 |
1 |
1 |
183 |
f |
[4DE]A:601 |
x,y,z |
1_555 |
1 |
1 |
493 |
5.4 |
-0.0 |
0.671 |
0 |
0 |
0 |
0.000 |
62 |
64 |
|
B |
2 |
1 |
15329 |
f |
[EDO]A:706 |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
184 |
5.4 |
0.1 |
0.699 |
0 |
0 |
0 |
0.000 |
63 |
65 |
|
A |
2 |
1 |
15379 |
f |
[EDO]B:715 |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
184 |
5.1 |
0.2 |
0.842 |
0 |
0 |
0 |
0.000 |
64 |
66 |
|
[EDO]A:720 |
1 |
1 |
183 |
f |
[EDO]B:718 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
183 |
0.2 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
|