| ## |
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 |
359 |
93 |
17968 |
◊ |
A |
x,y,z |
1_555 |
350 |
95 |
17800 |
3589.8 |
-62.5 |
0.006 |
27 |
0 |
0 |
0.611 |
2 |
|
D |
361 |
94 |
18002 |
◊ |
B |
x,y,z |
1_555 |
353 |
91 |
17796 |
3493.4 |
-61.4 |
0.007 |
28 |
1 |
0 |
0.611 |
| Average: |
3541.6 |
-62.0 |
0.006 |
28 |
1 |
0 |
0.611 |
| 2 |
3 |
|
D |
185 |
45 |
18002 |
◊ |
A |
x,y,z |
1_555 |
194 |
48 |
17800 |
1760.1 |
-20.1 |
0.381 |
21 |
11 |
0 |
0.388 |
4 |
|
C |
181 |
44 |
17968 |
◊ |
B |
x,y,z |
1_555 |
181 |
44 |
17796 |
1694.7 |
-20.1 |
0.394 |
19 |
13 |
0 |
0.388 |
| Average: |
1727.4 |
-20.1 |
0.387 |
20 |
12 |
0 |
0.388 |
| 3 |
5 |
|
D |
62 |
18 |
18002 |
◊ |
D |
y,x,-z |
7_555 |
63 |
18 |
18002 |
611.9 |
-0.6 |
0.862 |
8 |
8 |
0 |
0.000 |
| 4 |
6 |
|
B |
42 |
15 |
17796 |
◊ |
C |
-y+1/2,x+1/2,z-1/4 |
3_554 |
36 |
12 |
17968 |
392.7 |
1.1 |
0.899 |
10 |
11 |
0 |
0.000 |
| 5 |
7 |
|
D |
34 |
11 |
18002 |
◊ |
A |
y,x,-z |
7_555 |
28 |
7 |
17800 |
276.7 |
-3.0 |
0.499 |
0 |
0 |
0 |
0.000 |
| 6 |
8 |
|
D |
14 |
5 |
18002 |
◊ |
C |
-y+1/2,x+1/2,z-1/4 |
3_554 |
15 |
7 |
17968 |
160.0 |
-0.2 |
0.716 |
1 |
1 |
0 |
0.000 |
9 |
|
B |
14 |
6 |
17796 |
◊ |
A |
-y+1/2,x+1/2,z-1/4 |
3_554 |
15 |
6 |
17800 |
143.4 |
1.2 |
0.876 |
1 |
1 |
0 |
0.000 |
| Average: |
151.7 |
0.5 |
0.796 |
1 |
1 |
0 |
0.000 |
| 7 |
10 |
|
[ACT]D:1 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
22 |
12 |
17796 |
100.7 |
-1.8 |
0.489 |
2 |
0 |
0 |
0.033 |
| 8 |
11 |
|
[ACT]A:371 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
20 |
11 |
17800 |
94.1 |
-1.0 |
0.621 |
0 |
0 |
0 |
0.012 |
| 9 |
12 |
|
D |
10 |
4 |
18002 |
◊ |
B |
-x-1/2,y-1/2,-z-1/4 |
5_444 |
15 |
5 |
17796 |
92.2 |
0.6 |
0.701 |
0 |
0 |
0 |
0.000 |
| 10 |
13 |
|
D |
11 |
4 |
18002 |
◊ |
C |
-x-1/2,y-1/2,-z-1/4 |
5_444 |
8 |
4 |
17968 |
86.8 |
-0.7 |
0.585 |
1 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[FE]C:370 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
9 |
7 |
17968 |
73.0 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.287 |
15 |
|
[FE]D:370 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
18002 |
71.2 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.287 |
16 |
|
[FE]A:370 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
17800 |
60.8 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.287 |
17 |
|
[FE]B:370 |
1 |
1 |
137 |
cf |
B |
x,y,z |
1_555 |
10 |
6 |
17796 |
58.5 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.287 |
| Average: |
65.9 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.287 |
| 12 |
18 |
|
[CL]A:1 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
17800 |
69.7 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.192 |
19 |
|
[CL]B:2 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
17796 |
68.7 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.192 |
20 |
|
[CL]C:4 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
17968 |
66.7 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.192 |
21 |
|
[CL]D:3 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
18002 |
64.8 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.192 |
| Average: |
67.5 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.192 |
| 13 |
22 |
|
D |
8 |
5 |
18002 |
◊ |
A |
-y-1/2,x+1/2,z-1/4 |
3_454 |
4 |
2 |
17800 |
50.6 |
-0.6 |
0.459 |
0 |
0 |
0 |
0.000 |
| 14 |
23 |
|
[ACT]A:371 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
17968 |
49.6 |
-1.5 |
0.159 |
0 |
0 |
0 |
0.012 |
| 15 |
24 |
|
[ACT]D:1 |
3 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
18002 |
48.1 |
-1.2 |
0.217 |
0 |
0 |
0 |
0.010 |
| 16 |
25 |
|
C |
3 |
2 |
17968 |
x |
C |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
6 |
4 |
17968 |
37.5 |
-0.2 |
0.596 |
0 |
0 |
0 |
0.000 |
| 17 |
26 |
|
A |
4 |
1 |
17800 |
◊ |
C |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
6 |
4 |
17968 |
36.2 |
0.4 |
0.780 |
0 |
1 |
0 |
0.000 |
| 18 |
27 |
|
[CL]B:2 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
17968 |
36.1 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.101 |
28 |
|
[CL]A:1 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
18002 |
34.7 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.101 |
29 |
|
[CL]D:3 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
17800 |
32.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.101 |
| Average: |
34.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.101 |
| 19 |
30 |
|
B |
5 |
2 |
17796 |
◊ |
B |
y,x,-z |
7_555 |
5 |
2 |
17796 |
32.4 |
0.5 |
0.808 |
0 |
0 |
0 |
0.000 |
| 20 |
31 |
|
[ACT]D:1 |
3 |
1 |
184 |
f |
[FE]B:370 |
x,y,z |
1_555 |
1 |
1 |
137 |
29.6 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.036 |
32 |
|
[ACT]A:371 |
3 |
1 |
184 |
f |
[FE]A:370 |
x,y,z |
1_555 |
1 |
1 |
137 |
29.3 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.036 |
| Average: |
29.5 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.036 |
| 21 |
33 |
|
B |
4 |
2 |
17796 |
◊ |
A |
y,x,-z |
7_555 |
5 |
3 |
17800 |
29.0 |
-0.1 |
0.635 |
0 |
0 |
0 |
0.000 |
| 22 |
34 |
|
[FE]C:370 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
17800 |
18.3 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.031 |
35 |
|
[FE]D:370 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
17796 |
17.6 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.031 |
36 |
|
[FE]B:370 |
1 |
1 |
137 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
18002 |
13.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.031 |
37 |
|
[FE]A:370 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
17968 |
11.9 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.031 |
| Average: |
15.3 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.031 |
| 23 |
38 |
|
B |
2 |
1 |
17796 |
◊ |
C |
-x-1/2,y-1/2,-z-1/4 |
5_444 |
3 |
1 |
17968 |
17.7 |
0.2 |
0.747 |
0 |
0 |
0 |
0.000 |
| 24 |
39 |
|
[CL]C:4 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
17796 |
8.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.013 |
|