## |
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 |
|
C |
281 |
77 |
16849 |
◊ |
C |
-x,-x+y,-z+1/3 |
6_555 |
280 |
76 |
16849 |
2795.1 |
-9.8 |
0.424 |
44 |
16 |
0 |
0.194 |
2 |
|
B |
271 |
77 |
16823 |
◊ |
A |
x,y,z |
1_555 |
274 |
76 |
16879 |
2689.3 |
-9.6 |
0.418 |
39 |
14 |
0 |
0.194 |
Average: |
2742.2 |
-9.7 |
0.421 |
42 |
15 |
0 |
0.194 |
2 |
3 |
|
A |
67 |
23 |
16879 |
◊ |
B |
-y-1,x-y-1,z+1/3 |
2_445 |
70 |
23 |
16823 |
679.2 |
0.6 |
0.679 |
8 |
0 |
0 |
0.000 |
4 |
|
C |
64 |
22 |
16849 |
◊ |
C |
y,x,-z |
4_555 |
63 |
22 |
16849 |
648.5 |
2.3 |
0.771 |
8 |
0 |
0 |
0.000 |
Average: |
663.8 |
1.5 |
0.725 |
8 |
0 |
0 |
0.000 |
3 |
5 |
|
D |
69 |
19 |
5873 |
◊ |
C |
x,y,z |
1_555 |
63 |
15 |
16849 |
583.6 |
3.5 |
0.871 |
7 |
3 |
0 |
0.000 |
4 |
6 |
|
D |
53 |
17 |
5873 |
◊ |
B |
x,y,z |
1_555 |
57 |
13 |
16823 |
519.3 |
-1.6 |
0.477 |
5 |
10 |
0 |
0.000 |
5 |
7 |
|
C |
40 |
11 |
16849 |
◊ |
B |
x,y,z |
1_555 |
42 |
10 |
16823 |
364.3 |
1.9 |
0.759 |
1 |
0 |
0 |
0.000 |
6 |
8 |
|
B |
41 |
12 |
16823 |
◊ |
B |
y,x,-z |
4_555 |
41 |
12 |
16823 |
280.2 |
-3.9 |
0.250 |
2 |
0 |
0 |
0.000 |
7 |
9 |
|
A |
25 |
10 |
16879 |
x |
A |
-y-1,x-y-1,z+1/3 |
2_445 |
30 |
10 |
16879 |
243.6 |
2.7 |
0.827 |
1 |
1 |
0 |
0.000 |
10 |
|
B |
31 |
10 |
16823 |
x |
B |
-y-1,x-y-1,z+1/3 |
2_445 |
23 |
9 |
16823 |
241.6 |
2.1 |
0.799 |
1 |
1 |
0 |
0.000 |
11 |
|
C |
30 |
10 |
16849 |
x |
C |
-y,x-y,z+1/3 |
2_555 |
24 |
9 |
16849 |
240.1 |
2.6 |
0.823 |
1 |
1 |
0 |
0.000 |
Average: |
241.7 |
2.5 |
0.816 |
1 |
1 |
0 |
0.000 |
8 |
12 |
|
D |
8 |
3 |
5873 |
◊ |
D |
y,x,-z+1 |
4_556 |
7 |
3 |
5873 |
99.4 |
0.5 |
0.733 |
0 |
0 |
0 |
0.000 |
9 |
13 |
|
[EDO]B:1367 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
16823 |
74.1 |
1.9 |
0.788 |
1 |
0 |
0 |
0.000 |
10 |
14 |
|
[FE]C:1365 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
16849 |
63.0 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.134 |
15 |
|
[FE]A:1365 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
16879 |
61.0 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.134 |
16 |
|
[FE]B:1365 |
1 |
1 |
137 |
cf |
B |
x,y,z |
1_555 |
9 |
6 |
16823 |
60.9 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.134 |
Average: |
61.7 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.134 |
11 |
17 |
|
[FE]B:1364 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
16823 |
59.2 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.135 |
18 |
|
[FE]A:1364 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
16879 |
58.7 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.135 |
19 |
|
[FE]C:1364 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
16849 |
58.7 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.135 |
Average: |
58.8 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.135 |
12 |
20 |
|
[EDO]B:1367 |
4 |
1 |
186 |
f |
B |
y,x,-z |
4_555 |
6 |
4 |
16823 |
59.0 |
1.0 |
0.595 |
1 |
0 |
0 |
0.000 |
13 |
21 |
|
[ZN]A:1366 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
16879 |
49.4 |
-25.4 |
0.000 |
0 |
0 |
0 |
0.301 |
22 |
|
[ZN]B:1366 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
16823 |
47.4 |
-22.9 |
0.000 |
0 |
0 |
0 |
0.301 |
23 |
|
[ZN]C:1366 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
16849 |
44.8 |
-21.8 |
0.000 |
0 |
0 |
0 |
0.301 |
Average: |
47.2 |
-23.3 |
0.000 |
0 |
0 |
0 |
0.301 |
14 |
24 |
|
[EDO]B:1367 |
2 |
1 |
186 |
◊ |
[EDO]B:1367 |
y,x,-z |
4_555 |
2 |
1 |
186 |
33.6 |
1.5 |
1.000 |
0 |
0 |
0 |
0.000 |
15 |
25 |
|
[FE]C:1365 |
1 |
1 |
137 |
f |
[FE]C:1364 |
x,y,z |
1_555 |
1 |
1 |
137 |
30.9 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.075 |
16 |
26 |
|
[FE]A:1365 |
1 |
1 |
137 |
f |
[FE]A:1364 |
x,y,z |
1_555 |
1 |
1 |
137 |
30.9 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.039 |
17 |
27 |
|
[FE]B:1365 |
1 |
1 |
137 |
f |
[FE]B:1364 |
x,y,z |
1_555 |
1 |
1 |
137 |
27.4 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.034 |
18 |
28 |
|
[ZN]C:1366 |
1 |
1 |
98 |
◊ |
C |
-x,-x+y,-z+1/3 |
6_555 |
5 |
3 |
16849 |
22.5 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.105 |
29 |
|
[ZN]B:1366 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
16879 |
21.9 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.105 |
30 |
|
[ZN]A:1366 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
16823 |
16.2 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.105 |
Average: |
20.2 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.105 |
19 |
31 |
|
[ZN]C:1366 |
1 |
1 |
98 |
◊ |
[ZN]C:1366 |
-x,-x+y,-z+1/3 |
6_555 |
1 |
1 |
98 |
20.3 |
-16.2 |
0.000 |
0 |
0 |
0 |
0.099 |
20 |
32 |
|
[ZN]B:1366 |
1 |
1 |
98 |
◊ |
[ZN]A:1366 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.2 |
-14.5 |
0.000 |
0 |
0 |
0 |
0.091 |
21 |
33 |
|
D |
4 |
1 |
5873 |
◊ |
C |
y,x,-z+1 |
4_556 |
2 |
1 |
16849 |
15.3 |
0.1 |
0.618 |
0 |
0 |
0 |
0.000 |
22 |
34 |
|
A |
1 |
1 |
16879 |
◊ |
C |
-y-1,x-y-1,z+1/3 |
2_445 |
4 |
2 |
16849 |
14.7 |
0.3 |
0.638 |
0 |
0 |
0 |
0.000 |
23 |
35 |
|
A |
2 |
1 |
16879 |
◊ |
D |
-y-1,x-y-1,z-2/3 |
2_444 |
4 |
2 |
5873 |
13.1 |
-0.1 |
0.589 |
0 |
0 |
0 |
0.000 |
24 |
36 |
|
C |
1 |
1 |
16849 |
◊ |
C |
y,x,-z+1 |
4_556 |
1 |
1 |
16849 |
3.3 |
0.2 |
0.846 |
0 |
0 |
0 |
0.000 |
37 |
|
A |
1 |
1 |
16879 |
◊ |
B |
-y-1,x-y-1,z-2/3 |
2_444 |
1 |
1 |
16823 |
0.4 |
0.0 |
0.732 |
0 |
0 |
0 |
0.000 |
Average: |
1.8 |
0.1 |
0.789 |
0 |
0 |
0 |
0.000 |
|