## |
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 |
178 |
47 |
17162 |
◊ |
A |
x,y,z |
1_555 |
178 |
48 |
17395 |
1577.7 |
-10.6 |
0.556 |
28 |
0 |
0 |
0.198 |
2 |
|
D |
175 |
45 |
17178 |
◊ |
C |
x,y,z |
1_555 |
182 |
46 |
17209 |
1549.0 |
-11.1 |
0.542 |
27 |
0 |
0 |
0.198 |
Average: |
1563.4 |
-10.9 |
0.549 |
28 |
0 |
0 |
0.198 |
2 |
3 |
|
B |
59 |
19 |
17162 |
◊ |
B |
x,-y,-z |
2_555 |
59 |
19 |
17162 |
585.9 |
-10.5 |
0.056 |
0 |
0 |
0 |
0.000 |
3 |
4 |
|
C |
36 |
12 |
17209 |
◊ |
A |
x,-y+1,-z |
2_565 |
45 |
13 |
17395 |
365.4 |
-7.1 |
0.103 |
0 |
0 |
0 |
0.000 |
4 |
5 |
|
A |
39 |
9 |
17395 |
◊ |
D |
-x-1,-y+1/2,z-1/2 |
4_454 |
39 |
11 |
17178 |
351.0 |
-7.4 |
0.063 |
2 |
0 |
0 |
0.000 |
5 |
6 |
|
C |
35 |
11 |
17209 |
◊ |
D |
x-1,y,z |
1_455 |
35 |
11 |
17178 |
347.9 |
-2.7 |
0.439 |
2 |
0 |
0 |
0.000 |
7 |
|
B |
35 |
11 |
17162 |
◊ |
A |
x-1,y,z |
1_455 |
36 |
11 |
17395 |
342.4 |
-2.9 |
0.422 |
3 |
0 |
0 |
0.000 |
Average: |
345.2 |
-2.8 |
0.430 |
3 |
0 |
0 |
0.000 |
6 |
8 |
|
C |
32 |
10 |
17209 |
◊ |
A |
x,y,z |
1_555 |
37 |
13 |
17395 |
325.5 |
-1.3 |
0.430 |
4 |
0 |
0 |
0.000 |
7 |
9 |
|
A |
19 |
11 |
17395 |
◊ |
D |
-x,-y+1/2,z-1/2 |
4_554 |
24 |
11 |
17178 |
221.1 |
-3.8 |
0.167 |
1 |
0 |
0 |
0.000 |
8 |
10 |
|
B |
21 |
6 |
17162 |
◊ |
D |
x-1,y,z |
1_455 |
21 |
9 |
17178 |
196.8 |
-3.4 |
0.138 |
1 |
0 |
0 |
0.000 |
9 |
11 |
|
B |
21 |
7 |
17162 |
◊ |
D |
-x-1,-y+1/2,z-1/2 |
4_454 |
15 |
7 |
17178 |
153.7 |
-1.0 |
0.541 |
2 |
0 |
0 |
0.000 |
12 |
|
A |
15 |
7 |
17395 |
◊ |
C |
-x-1,-y+1/2,z-1/2 |
4_454 |
19 |
6 |
17209 |
142.1 |
-1.0 |
0.545 |
3 |
0 |
0 |
0.000 |
Average: |
147.9 |
-1.0 |
0.543 |
3 |
0 |
0 |
0.000 |
10 |
13 |
|
[EDO]A:504 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
29 |
13 |
17395 |
134.0 |
4.5 |
0.571 |
1 |
0 |
0 |
0.000 |
11 |
14 |
|
[EDO]C:504 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
30 |
14 |
17209 |
133.4 |
3.4 |
0.498 |
0 |
0 |
0 |
0.000 |
12 |
15 |
|
[EDO]B:504 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
30 |
13 |
17162 |
133.1 |
2.8 |
0.430 |
0 |
0 |
0 |
0.000 |
13 |
16 |
|
B |
15 |
3 |
17162 |
◊ |
C |
-x-1,-y+1/2,z-1/2 |
4_454 |
15 |
4 |
17209 |
130.8 |
2.2 |
0.935 |
2 |
0 |
0 |
0.000 |
14 |
17 |
|
[ACT]A:503 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
10 |
17395 |
103.9 |
-1.0 |
0.502 |
3 |
0 |
0 |
0.020 |
15 |
18 |
|
[ACT]B:503 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
17162 |
103.4 |
-1.6 |
0.393 |
3 |
0 |
0 |
0.025 |
16 |
19 |
|
[ACT]D:503 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
18 |
10 |
17178 |
103.3 |
-1.0 |
0.529 |
3 |
0 |
0 |
0.018 |
17 |
20 |
|
[EDO]B:505 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
17 |
5 |
17162 |
100.4 |
2.7 |
0.495 |
2 |
0 |
0 |
0.000 |
18 |
21 |
|
[ACT]C:503 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
16 |
9 |
17209 |
100.4 |
-1.1 |
0.457 |
3 |
0 |
0 |
0.019 |
19 |
22 |
|
[EDO]A:505 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
17395 |
85.6 |
2.3 |
0.291 |
2 |
0 |
0 |
0.000 |
20 |
23 |
|
[NA]B:502 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
17162 |
78.1 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.190 |
24 |
|
[NA]A:502 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
17395 |
77.6 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.190 |
25 |
|
[NA]C:502 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
18 |
8 |
17209 |
77.3 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.190 |
26 |
|
[NA]D:502 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
17178 |
77.0 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.190 |
Average: |
77.5 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.190 |
21 |
27 |
|
C |
6 |
2 |
17209 |
◊ |
C |
x,-y+1,-z |
2_565 |
6 |
2 |
17209 |
69.7 |
-1.1 |
0.280 |
0 |
0 |
0 |
0.000 |
22 |
28 |
|
[EDO]A:505 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
17162 |
64.0 |
1.4 |
0.270 |
1 |
0 |
0 |
0.000 |
23 |
29 |
|
[EDO]B:505 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
17395 |
49.9 |
1.4 |
0.908 |
1 |
0 |
0 |
0.000 |
24 |
30 |
|
[ZN]D:501 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
6 |
17178 |
39.5 |
-27.0 |
0.000 |
0 |
0 |
0 |
0.437 |
31 |
|
[ZN]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
17395 |
38.3 |
-25.4 |
0.000 |
0 |
0 |
0 |
0.437 |
32 |
|
[ZN]C:501 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
6 |
17209 |
36.4 |
-25.7 |
0.000 |
0 |
0 |
0 |
0.437 |
33 |
|
[ZN]B:501 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
6 |
17162 |
35.6 |
-25.6 |
0.000 |
0 |
0 |
0 |
0.437 |
Average: |
37.4 |
-25.9 |
0.000 |
0 |
0 |
0 |
0.437 |
25 |
34 |
|
[ACT]D:503 |
3 |
1 |
183 |
f |
[ZN]D:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.0 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.200 |
35 |
|
[ACT]B:503 |
3 |
1 |
182 |
f |
[ZN]B:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.4 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.200 |
36 |
|
[ACT]C:503 |
3 |
1 |
182 |
f |
[ZN]C:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.2 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.200 |
37 |
|
[ACT]A:503 |
3 |
1 |
184 |
f |
[ZN]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.7 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.200 |
Average: |
28.3 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.200 |
26 |
38 |
|
[EDO]A:504 |
1 |
1 |
183 |
f |
[ZN]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.3 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.021 |
27 |
39 |
|
[EDO]C:504 |
1 |
1 |
183 |
f |
[ZN]C:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.7 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.013 |
40 |
|
[EDO]B:504 |
1 |
1 |
184 |
f |
[ZN]B:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.0 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.013 |
Average: |
5.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.013 |
|