## |
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 |
442 |
109 |
24048 |
◊ |
A |
x,y,z |
1_555 |
432 |
116 |
25009 |
4245.2 |
-29.8 |
0.072 |
51 |
12 |
0 |
0.512 |
2 |
|
D |
443 |
119 |
25273 |
◊ |
C |
x,y,z |
1_555 |
435 |
121 |
25400 |
4223.8 |
-26.6 |
0.162 |
45 |
17 |
0 |
0.512 |
Average: |
4234.5 |
-28.2 |
0.117 |
48 |
15 |
0 |
0.512 |
2 |
3 |
|
C |
82 |
28 |
25400 |
◊ |
A |
x,y,z |
1_555 |
88 |
28 |
25009 |
769.7 |
-3.0 |
0.446 |
11 |
7 |
0 |
0.000 |
3 |
4 |
|
C |
52 |
16 |
25400 |
◊ |
D |
-x+1,y-1/2,-z-1/2 |
4_644 |
54 |
13 |
25273 |
508.2 |
0.6 |
0.687 |
9 |
11 |
0 |
0.000 |
4 |
5 |
|
D |
65 |
16 |
25273 |
x |
D |
-x+1,y-1/2,-z-1/2 |
4_644 |
52 |
19 |
25273 |
494.5 |
-1.5 |
0.465 |
3 |
2 |
0 |
0.000 |
5 |
6 |
|
A |
47 |
13 |
25009 |
◊ |
C |
x-1/2,-y+1/2,-z |
3_455 |
60 |
18 |
25400 |
482.9 |
0.8 |
0.616 |
9 |
1 |
0 |
0.000 |
6 |
7 |
|
D |
48 |
11 |
25273 |
◊ |
B |
x,y,z |
1_555 |
59 |
16 |
24048 |
482.8 |
4.5 |
0.879 |
8 |
9 |
0 |
0.000 |
7 |
8 |
|
C |
52 |
15 |
25400 |
◊ |
B |
x-1/2,-y-1/2,-z |
3_445 |
51 |
14 |
24048 |
451.3 |
-3.1 |
0.385 |
7 |
4 |
0 |
0.000 |
8 |
9 |
|
C |
35 |
9 |
25400 |
◊ |
D |
-x,y-1/2,-z-1/2 |
4_544 |
49 |
15 |
25273 |
386.5 |
4.2 |
0.896 |
4 |
3 |
0 |
0.000 |
9 |
10 |
|
A |
36 |
13 |
25009 |
x |
A |
x-1/2,-y+1/2,-z |
3_455 |
42 |
11 |
25009 |
318.6 |
2.8 |
0.815 |
2 |
3 |
0 |
0.000 |
10 |
11 |
|
A |
35 |
10 |
25009 |
◊ |
B |
x,y-1,z |
1_545 |
32 |
10 |
24048 |
313.6 |
-0.6 |
0.533 |
2 |
3 |
0 |
0.000 |
12 |
|
D |
34 |
11 |
25273 |
◊ |
C |
x,y-1,z |
1_545 |
39 |
8 |
25400 |
311.0 |
-2.6 |
0.360 |
1 |
0 |
0 |
0.000 |
Average: |
312.3 |
-1.6 |
0.446 |
2 |
2 |
0 |
0.000 |
11 |
13 |
|
B |
17 |
5 |
24048 |
◊ |
D |
x-1/2,-y+1/2,-z |
3_455 |
19 |
8 |
25273 |
169.2 |
-0.1 |
0.425 |
1 |
1 |
0 |
0.000 |
12 |
14 |
|
C |
18 |
6 |
25400 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
16 |
4 |
24048 |
160.6 |
0.2 |
0.625 |
1 |
0 |
0 |
0.000 |
13 |
15 |
|
D |
19 |
6 |
25273 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
20 |
7 |
24048 |
151.2 |
-0.8 |
0.492 |
0 |
0 |
0 |
0.000 |
14 |
16 |
|
C |
18 |
6 |
25400 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
24048 |
143.2 |
1.0 |
0.711 |
0 |
2 |
0 |
0.000 |
17 |
|
D |
12 |
5 |
25273 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
25009 |
115.5 |
1.5 |
0.794 |
3 |
2 |
0 |
0.000 |
Average: |
129.4 |
1.2 |
0.753 |
2 |
2 |
0 |
0.000 |
15 |
18 |
|
A |
19 |
4 |
25009 |
◊ |
B |
x-1/2,-y-1/2,-z |
3_445 |
14 |
6 |
24048 |
137.5 |
1.4 |
0.769 |
2 |
3 |
0 |
0.000 |
16 |
19 |
|
[IMD]D:502 |
5 |
1 |
198 |
f |
D |
x,y,z |
1_555 |
28 |
8 |
25273 |
133.8 |
4.1 |
0.477 |
1 |
0 |
0 |
0.000 |
17 |
20 |
|
[IMD]B:502 |
5 |
1 |
197 |
f |
B |
x,y,z |
1_555 |
29 |
8 |
24048 |
130.4 |
3.5 |
0.382 |
1 |
0 |
0 |
0.000 |
18 |
21 |
|
[IMD]A:502 |
5 |
1 |
197 |
f |
A |
x,y,z |
1_555 |
29 |
8 |
25009 |
129.0 |
4.0 |
0.408 |
0 |
0 |
0 |
0.000 |
19 |
22 |
|
[IMD]C:502 |
5 |
1 |
197 |
f |
C |
x,y,z |
1_555 |
30 |
8 |
25400 |
125.9 |
3.4 |
0.370 |
0 |
0 |
0 |
0.000 |
20 |
23 |
|
[ACT]B:503 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
22 |
12 |
24048 |
119.4 |
-1.1 |
0.555 |
0 |
0 |
0 |
0.010 |
21 |
24 |
|
[ACT]B:505 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
24048 |
118.1 |
-1.8 |
0.379 |
3 |
0 |
0 |
0.029 |
22 |
25 |
|
[ACT]A:503 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
25009 |
118.0 |
-0.8 |
0.587 |
1 |
0 |
0 |
0.012 |
23 |
26 |
|
[ACT]C:503 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
21 |
8 |
25400 |
112.8 |
-1.0 |
0.563 |
1 |
0 |
0 |
0.015 |
24 |
27 |
|
[ACT]D:503 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
24 |
8 |
25273 |
111.7 |
-1.1 |
0.550 |
2 |
0 |
0 |
0.020 |
25 |
28 |
|
[ACT]B:504 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
21 |
7 |
24048 |
111.1 |
-0.9 |
0.550 |
2 |
0 |
0 |
0.017 |
26 |
29 |
|
[ACT]D:504 |
4 |
1 |
182 |
◊ |
D |
x,y,z |
1_555 |
16 |
7 |
25273 |
103.4 |
0.5 |
0.756 |
0 |
0 |
0 |
0.000 |
27 |
30 |
|
B |
12 |
3 |
24048 |
◊ |
A |
x-1/2,-y-1/2,-z |
3_445 |
12 |
4 |
25009 |
92.4 |
1.1 |
0.725 |
0 |
0 |
0 |
0.000 |
28 |
31 |
|
C |
12 |
4 |
25400 |
x |
C |
-x,y-1/2,-z-1/2 |
4_544 |
12 |
3 |
25400 |
71.3 |
-0.8 |
0.411 |
0 |
3 |
0 |
0.000 |
29 |
32 |
|
A |
12 |
3 |
25009 |
◊ |
D |
x-1/2,-y+1/2,-z |
3_455 |
7 |
3 |
25273 |
69.5 |
1.0 |
0.730 |
0 |
0 |
0 |
0.000 |
30 |
33 |
|
A |
6 |
2 |
25009 |
◊ |
B |
x-1/2,-y+1/2,-z |
3_455 |
10 |
2 |
24048 |
64.5 |
0.1 |
0.615 |
1 |
0 |
0 |
0.000 |
31 |
34 |
|
[ACT]C:504 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
25400 |
58.4 |
-0.2 |
0.714 |
0 |
0 |
0 |
0.002 |
32 |
35 |
|
[ZN]C:501 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
14 |
9 |
25400 |
58.2 |
-26.1 |
0.000 |
0 |
0 |
0 |
0.541 |
36 |
|
[ZN]D:501 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
12 |
9 |
25273 |
57.0 |
-26.7 |
0.000 |
0 |
0 |
0 |
0.541 |
37 |
|
[ZN]B:501 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
9 |
24048 |
55.7 |
-28.6 |
0.000 |
0 |
0 |
0 |
0.541 |
38 |
|
[ZN]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
25009 |
53.4 |
-23.6 |
0.000 |
0 |
0 |
0 |
0.541 |
Average: |
56.1 |
-26.2 |
0.000 |
0 |
0 |
0 |
0.541 |
33 |
39 |
|
[ACT]C:504 |
4 |
1 |
183 |
◊ |
B |
x-1/2,-y-1/2,-z |
3_445 |
7 |
3 |
24048 |
55.3 |
0.5 |
0.823 |
0 |
0 |
0 |
0.000 |
34 |
40 |
|
C |
9 |
4 |
25400 |
◊ |
[ACT]B:506 |
x-1/2,-y-1/2,-z |
3_445 |
4 |
1 |
182 |
53.2 |
1.4 |
0.847 |
1 |
0 |
0 |
0.000 |
35 |
41 |
|
B |
7 |
3 |
24048 |
x |
B |
x-1/2,-y+1/2,-z |
3_455 |
6 |
3 |
24048 |
49.3 |
0.9 |
0.726 |
0 |
0 |
0 |
0.000 |
36 |
42 |
|
[ACT]B:506 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
24048 |
42.5 |
0.2 |
0.751 |
0 |
0 |
0 |
0.000 |
37 |
43 |
|
[ZN]C:501 |
1 |
1 |
98 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
1 |
24048 |
28.3 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.018 |
38 |
44 |
|
D |
4 |
2 |
25273 |
x |
D |
x,y-1,z |
1_545 |
3 |
2 |
25273 |
28.2 |
1.1 |
0.854 |
0 |
1 |
0 |
0.000 |
45 |
|
B |
2 |
2 |
24048 |
x |
B |
x,y-1,z |
1_545 |
1 |
1 |
24048 |
1.4 |
-0.0 |
0.528 |
0 |
0 |
0 |
0.000 |
Average: |
14.8 |
0.6 |
0.691 |
0 |
1 |
0 |
0.000 |
39 |
46 |
|
[ACT]D:504 |
2 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
25400 |
24.7 |
0.4 |
0.726 |
0 |
0 |
0 |
0.000 |
40 |
47 |
|
D |
3 |
1 |
25273 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
2 |
25009 |
16.5 |
0.1 |
0.623 |
0 |
0 |
0 |
0.000 |
41 |
48 |
|
[ACT]B:503 |
2 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
25009 |
9.2 |
0.2 |
0.735 |
0 |
0 |
0 |
0.000 |
42 |
49 |
|
[ACT]B:505 |
1 |
1 |
184 |
f |
[IMD]B:502 |
x,y,z |
1_555 |
2 |
1 |
197 |
3.5 |
0.1 |
0.141 |
0 |
0 |
0 |
0.000 |
43 |
50 |
|
D |
1 |
1 |
25273 |
◊ |
C |
-x,y-1/2,-z-1/2 |
4_544 |
1 |
1 |
25400 |
2.4 |
0.0 |
0.577 |
0 |
0 |
0 |
0.000 |
44 |
51 |
|
C |
1 |
1 |
25400 |
◊ |
A |
-x,y-1/2,-z-1/2 |
4_544 |
1 |
1 |
25009 |
2.1 |
0.1 |
0.760 |
0 |
0 |
0 |
0.000 |
45 |
52 |
|
B |
1 |
1 |
24048 |
x |
B |
x-1/2,-y-1/2,-z |
3_445 |
1 |
1 |
24048 |
1.3 |
0.0 |
0.713 |
0 |
0 |
0 |
0.000 |
|