| ## |
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 |
131 |
30 |
9926 |
◊ |
D |
-z+1,x+1/2,-y+3/2 |
8_656 |
132 |
30 |
9747 |
1303.7 |
-9.2 |
0.312 |
24 |
20 |
0 |
0.326 |
2 |
|
P |
133 |
30 |
9758 |
◊ |
O |
z,x,y |
5_555 |
132 |
31 |
9906 |
1300.1 |
-9.2 |
0.319 |
24 |
20 |
0 |
0.326 |
3 |
|
N |
135 |
31 |
9767 |
◊ |
M |
x,y,z |
1_555 |
131 |
31 |
9938 |
1284.9 |
-9.2 |
0.320 |
22 |
18 |
0 |
0.326 |
4 |
|
B |
133 |
30 |
9598 |
◊ |
A |
x,y,z |
1_555 |
131 |
30 |
9898 |
1283.3 |
-9.3 |
0.323 |
22 |
18 |
0 |
0.326 |
| Average: |
1293.0 |
-9.2 |
0.318 |
23 |
19 |
0 |
0.326 |
| 2 |
5 |
|
O |
90 |
24 |
9906 |
x |
M |
x,y,z |
1_555 |
96 |
28 |
9938 |
923.8 |
-7.1 |
0.259 |
10 |
2 |
0 |
0.333 |
6 |
|
C |
88 |
22 |
9926 |
x |
A |
x,y,z |
1_555 |
92 |
27 |
9898 |
923.8 |
-7.0 |
0.252 |
10 |
2 |
0 |
0.333 |
7 |
|
N |
89 |
22 |
9767 |
x |
O |
z,x,y |
5_555 |
95 |
27 |
9906 |
913.1 |
-7.2 |
0.258 |
9 |
2 |
0 |
0.333 |
8 |
|
N |
94 |
27 |
9767 |
x |
M |
z,x,y |
5_555 |
86 |
21 |
9938 |
897.8 |
-7.1 |
0.247 |
9 |
2 |
0 |
0.333 |
9 |
|
P |
97 |
28 |
9758 |
x |
P |
z,x,y |
5_555 |
91 |
24 |
9758 |
896.6 |
-7.4 |
0.235 |
9 |
2 |
0 |
0.333 |
10 |
|
A |
88 |
22 |
9898 |
x |
B |
-z+1,x+1/2,-y+3/2 |
8_656 |
95 |
27 |
9598 |
895.2 |
-7.1 |
0.265 |
9 |
2 |
0 |
0.333 |
11 |
|
D |
91 |
24 |
9747 |
x |
D |
-z+1,x+1/2,-y+3/2 |
8_656 |
97 |
28 |
9747 |
893.7 |
-7.3 |
0.244 |
9 |
2 |
0 |
0.333 |
12 |
|
C |
95 |
27 |
9926 |
x |
B |
-z+1,x+1/2,-y+3/2 |
8_656 |
90 |
23 |
9598 |
889.1 |
-7.3 |
0.241 |
9 |
2 |
0 |
0.333 |
| Average: |
904.2 |
-7.2 |
0.250 |
9 |
2 |
0 |
0.333 |
| 3 |
13 |
|
C |
54 |
17 |
9926 |
x |
B |
x,y,z |
1_555 |
55 |
13 |
9598 |
513.9 |
-8.9 |
0.091 |
4 |
2 |
0 |
0.309 |
14 |
|
D |
57 |
17 |
9747 |
x |
C |
x,y,z |
1_555 |
53 |
13 |
9926 |
513.2 |
-8.9 |
0.082 |
5 |
2 |
0 |
0.309 |
15 |
|
O |
54 |
16 |
9906 |
x |
N |
x,y,z |
1_555 |
54 |
13 |
9767 |
513.2 |
-8.9 |
0.087 |
5 |
2 |
0 |
0.309 |
16 |
|
P |
53 |
16 |
9758 |
x |
O |
x,y,z |
1_555 |
54 |
13 |
9906 |
511.1 |
-8.8 |
0.085 |
5 |
2 |
0 |
0.309 |
17 |
|
M |
52 |
12 |
9938 |
x |
M |
z,x,y |
5_555 |
55 |
16 |
9938 |
503.2 |
-8.7 |
0.087 |
4 |
2 |
0 |
0.309 |
18 |
|
D |
53 |
12 |
9747 |
x |
B |
x,y,z |
1_555 |
55 |
16 |
9598 |
501.3 |
-8.9 |
0.079 |
4 |
2 |
0 |
0.309 |
19 |
|
A |
56 |
16 |
9898 |
x |
A |
-z+1,x+1/2,-y+3/2 |
8_656 |
54 |
12 |
9898 |
501.0 |
-8.7 |
0.094 |
4 |
2 |
0 |
0.309 |
20 |
|
P |
54 |
12 |
9758 |
x |
N |
x,y,z |
1_555 |
54 |
16 |
9767 |
500.1 |
-8.9 |
0.086 |
4 |
2 |
0 |
0.309 |
| Average: |
507.1 |
-8.8 |
0.086 |
4 |
2 |
0 |
0.309 |
| 4 |
21 |
|
P |
45 |
13 |
9758 |
◊ |
D |
z,-x+1,-y+3/2 |
18_566 |
45 |
13 |
9747 |
398.3 |
2.1 |
0.799 |
5 |
0 |
0 |
0.000 |
| 5 |
22 |
|
C |
33 |
12 |
9926 |
◊ |
O |
-y+1,z+1/2,-x+3/2 |
10_656 |
34 |
12 |
9906 |
290.0 |
1.7 |
0.779 |
2 |
0 |
0 |
0.000 |
| 6 |
23 |
|
B |
17 |
8 |
9598 |
◊ |
N |
z,-x+1,-y+3/2 |
18_566 |
19 |
8 |
9767 |
158.9 |
-1.3 |
0.448 |
3 |
0 |
0 |
0.000 |
| 7 |
24 |
|
A |
13 |
5 |
9898 |
◊ |
M |
z,-x+1,-y+3/2 |
18_566 |
13 |
5 |
9938 |
133.5 |
2.1 |
0.857 |
0 |
0 |
0 |
0.000 |
| 8 |
25 |
|
A |
8 |
3 |
9898 |
◊ |
N |
z,-x+1,-y+3/2 |
18_566 |
13 |
4 |
9767 |
95.9 |
2.8 |
0.870 |
4 |
1 |
0 |
0.000 |
26 |
|
B |
13 |
4 |
9598 |
◊ |
M |
z,-x+1,-y+3/2 |
18_566 |
8 |
3 |
9938 |
94.0 |
2.7 |
0.873 |
4 |
1 |
0 |
0.000 |
| Average: |
95.0 |
2.7 |
0.871 |
4 |
1 |
0 |
0.000 |
| 9 |
27 |
|
[FE]A:1176 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
9898 |
63.5 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.359 |
28 |
|
[FE]C:1176 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
9926 |
63.4 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.359 |
29 |
|
[FE]D:1176 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
9747 |
63.4 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.359 |
30 |
|
[FE]B:1176 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
9598 |
63.3 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.359 |
31 |
|
[FE]P:1176 |
1 |
1 |
137 |
f |
P |
x,y,z |
1_555 |
10 |
7 |
9758 |
63.3 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.359 |
32 |
|
[FE]O:1176 |
1 |
1 |
137 |
f |
O |
x,y,z |
1_555 |
12 |
7 |
9906 |
63.2 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.359 |
33 |
|
[FE]N:1176 |
1 |
1 |
137 |
f |
N |
x,y,z |
1_555 |
9 |
5 |
9767 |
63.1 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.359 |
34 |
|
[FE]M:1176 |
1 |
1 |
137 |
f |
M |
x,y,z |
1_555 |
10 |
7 |
9938 |
63.0 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.359 |
| Average: |
63.3 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.359 |
| 10 |
35 |
|
D |
6 |
2 |
9747 |
◊ |
O |
z,x,y |
5_555 |
7 |
3 |
9906 |
62.4 |
1.0 |
0.753 |
0 |
0 |
0 |
0.000 |
36 |
|
C |
7 |
3 |
9926 |
◊ |
P |
-z+1,x+1/2,-y+3/2 |
8_656 |
6 |
2 |
9758 |
62.0 |
1.0 |
0.751 |
0 |
0 |
0 |
0.000 |
| Average: |
62.2 |
1.0 |
0.752 |
0 |
0 |
0 |
0.000 |
| 11 |
37 |
|
[ZN]B:1175 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
4 |
3 |
9598 |
39.8 |
-31.5 |
0.000 |
0 |
0 |
0 |
0.490 |
38 |
|
[ZN]N:1175 |
1 |
1 |
98 |
f |
N |
x,y,z |
1_555 |
4 |
3 |
9767 |
39.5 |
-31.3 |
0.000 |
0 |
0 |
0 |
0.490 |
39 |
|
[ZN]O:1175 |
1 |
1 |
98 |
f |
O |
x,y,z |
1_555 |
2 |
2 |
9906 |
39.5 |
-31.5 |
0.000 |
0 |
0 |
0 |
0.490 |
40 |
|
[ZN]A:1175 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
9898 |
39.4 |
-31.5 |
0.000 |
0 |
0 |
0 |
0.490 |
| Average: |
39.6 |
-31.5 |
0.000 |
0 |
0 |
0 |
0.490 |
| 12 |
41 |
|
P |
2 |
1 |
9758 |
◊ |
D |
-x+1,-y+3/2,z |
14_665 |
2 |
1 |
9747 |
26.8 |
-0.3 |
0.398 |
0 |
0 |
0 |
0.000 |
| 13 |
42 |
|
A |
1 |
1 |
9898 |
◊ |
M |
-y+1,z+1/2,-x+3/2 |
10_656 |
1 |
1 |
9938 |
23.5 |
-0.8 |
0.101 |
0 |
0 |
0 |
0.000 |
| 14 |
43 |
|
[FE]M:1176 |
1 |
1 |
137 |
f |
[ZN]M:1175 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.7 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.333 |
| 15 |
44 |
|
[FE]C:1176 |
1 |
1 |
137 |
f |
[ZN]C:1175 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.9 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.159 |
| 16 |
45 |
|
[FE]P:1176 |
1 |
1 |
137 |
f |
[ZN]P:1175 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.9 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.316 |
| 17 |
46 |
|
[FE]D:1176 |
1 |
1 |
137 |
f |
[ZN]D:1175 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.4 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.312 |
| 18 |
47 |
|
[FE]B:1176 |
1 |
1 |
137 |
f |
[ZN]B:1175 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.1 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.075 |
| 19 |
48 |
|
[FE]O:1176 |
1 |
1 |
137 |
f |
[ZN]O:1175 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.0 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.095 |
| 20 |
49 |
|
[FE]N:1176 |
1 |
1 |
137 |
f |
[ZN]N:1175 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.0 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.097 |
| 21 |
50 |
|
[FE]A:1176 |
1 |
1 |
137 |
f |
[ZN]A:1175 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.9 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.148 |
| 22 |
51 |
|
D |
1 |
1 |
9747 |
◊ |
P |
-z+1,-x+3/2,y |
19_665 |
1 |
1 |
9758 |
10.0 |
0.2 |
0.832 |
0 |
0 |
0 |
0.000 |
| 23 |
52 |
|
C |
1 |
1 |
9926 |
◊ |
O |
x-1/2,y+1/2,z+1/2 |
13_455 |
1 |
1 |
9906 |
0.7 |
0.0 |
0.707 |
0 |
0 |
0 |
0.000 |
|