## |
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 |
294 |
79 |
15190 |
◊ |
A |
x,y,z |
1_555 |
293 |
71 |
9557 |
2918.3 |
-39.6 |
0.024 |
49 |
9 |
0 |
0.812 |
2 |
|
D |
290 |
79 |
15530 |
◊ |
C |
x,y,z |
1_555 |
281 |
69 |
9647 |
2834.6 |
-36.4 |
0.022 |
46 |
10 |
0 |
0.812 |
3 |
|
F |
285 |
79 |
15443 |
◊ |
E |
x,y,z |
1_555 |
291 |
71 |
9583 |
2822.8 |
-38.1 |
0.020 |
51 |
11 |
0 |
0.812 |
4 |
|
H |
276 |
79 |
15922 |
◊ |
G |
x,y,z |
1_555 |
282 |
66 |
9385 |
2760.1 |
-35.0 |
0.069 |
46 |
9 |
0 |
0.812 |
Average: |
2834.0 |
-37.3 |
0.034 |
48 |
10 |
0 |
0.812 |
2 |
5 |
|
H |
138 |
37 |
15922 |
◊ |
F |
x,y,z |
1_555 |
142 |
37 |
15443 |
1394.9 |
-21.3 |
0.093 |
9 |
0 |
0 |
0.470 |
6 |
|
D |
136 |
37 |
15530 |
◊ |
B |
x-1,y,z |
1_455 |
140 |
38 |
15190 |
1374.1 |
-22.0 |
0.066 |
8 |
1 |
0 |
0.470 |
Average: |
1384.5 |
-21.6 |
0.080 |
9 |
1 |
0 |
0.470 |
3 |
7 |
|
G |
36 |
14 |
9385 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
25 |
6 |
15922 |
295.9 |
-4.6 |
0.131 |
1 |
0 |
0 |
0.000 |
4 |
8 |
|
F |
21 |
9 |
15443 |
◊ |
G |
x-1,y,z |
1_455 |
26 |
9 |
9385 |
249.4 |
-1.5 |
0.504 |
0 |
1 |
0 |
0.000 |
9 |
|
E |
24 |
9 |
9583 |
◊ |
H |
x-1,y,z |
1_455 |
21 |
10 |
15922 |
242.1 |
-2.0 |
0.279 |
1 |
0 |
0 |
0.000 |
10 |
|
D |
18 |
9 |
15530 |
◊ |
A |
x,y,z |
1_555 |
21 |
7 |
9557 |
189.9 |
-2.0 |
0.333 |
1 |
0 |
0 |
0.000 |
11 |
|
B |
19 |
8 |
15190 |
◊ |
C |
x,y,z |
1_555 |
20 |
8 |
9647 |
189.6 |
-1.9 |
0.371 |
1 |
0 |
0 |
0.000 |
Average: |
217.7 |
-1.8 |
0.372 |
1 |
0 |
0 |
0.000 |
5 |
12 |
|
D |
23 |
6 |
15530 |
◊ |
B |
x,y,z |
1_555 |
23 |
6 |
15190 |
229.7 |
0.1 |
0.765 |
0 |
1 |
0 |
0.000 |
13 |
|
F |
20 |
6 |
15443 |
◊ |
H |
x-1,y,z |
1_455 |
22 |
6 |
15922 |
210.3 |
-1.4 |
0.579 |
1 |
1 |
0 |
0.000 |
Average: |
220.0 |
-0.7 |
0.672 |
1 |
1 |
0 |
0.000 |
6 |
14 |
|
H |
30 |
8 |
15922 |
◊ |
E |
x,y,z |
1_555 |
20 |
5 |
9583 |
223.8 |
-0.5 |
0.589 |
3 |
0 |
0 |
0.024 |
15 |
|
F |
29 |
8 |
15443 |
◊ |
G |
x,y,z |
1_555 |
19 |
5 |
9385 |
215.4 |
-1.2 |
0.481 |
3 |
0 |
0 |
0.024 |
16 |
|
D |
29 |
9 |
15530 |
◊ |
A |
x-1,y,z |
1_455 |
17 |
4 |
9557 |
209.6 |
-0.9 |
0.537 |
3 |
0 |
0 |
0.024 |
17 |
|
C |
18 |
4 |
9647 |
◊ |
B |
x-1,y,z |
1_455 |
30 |
8 |
15190 |
192.6 |
-1.3 |
0.512 |
1 |
0 |
0 |
0.024 |
Average: |
210.3 |
-1.0 |
0.530 |
3 |
0 |
0 |
0.024 |
7 |
18 |
|
B |
20 |
5 |
15190 |
◊ |
E |
-x-1,y-1/2,-z+1 |
2_446 |
28 |
8 |
9583 |
203.7 |
0.2 |
0.685 |
1 |
0 |
0 |
0.000 |
8 |
19 |
|
F |
25 |
8 |
15443 |
◊ |
C |
x,y,z-1 |
1_554 |
19 |
6 |
9647 |
171.1 |
-0.2 |
0.665 |
0 |
1 |
0 |
0.000 |
9 |
20 |
|
A |
17 |
8 |
9557 |
◊ |
C |
-x-1,y-1/2,-z+1 |
2_446 |
16 |
6 |
9647 |
159.9 |
-1.2 |
0.328 |
2 |
0 |
0 |
0.000 |
10 |
21 |
|
D |
18 |
5 |
15530 |
◊ |
H |
-x-1,y-1/2,-z+1 |
2_446 |
15 |
5 |
15922 |
156.8 |
2.3 |
0.936 |
2 |
0 |
0 |
0.000 |
11 |
22 |
|
F |
16 |
4 |
15443 |
◊ |
D |
x,y,z |
1_555 |
18 |
6 |
15530 |
144.2 |
-0.9 |
0.555 |
1 |
0 |
0 |
0.000 |
12 |
23 |
|
H |
15 |
5 |
15922 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
15190 |
105.4 |
-0.8 |
0.598 |
1 |
0 |
0 |
0.000 |
13 |
24 |
|
F |
15 |
4 |
15443 |
◊ |
E |
-x-1,y-1/2,-z |
2_445 |
10 |
5 |
9583 |
96.6 |
0.8 |
0.757 |
1 |
0 |
0 |
0.000 |
14 |
25 |
|
A |
9 |
5 |
9557 |
◊ |
F |
-x-1,y-1/2,-z |
2_445 |
11 |
7 |
15443 |
88.8 |
2.0 |
0.875 |
2 |
2 |
0 |
0.000 |
15 |
26 |
|
D |
9 |
3 |
15530 |
◊ |
E |
-x-1,y-1/2,-z+1 |
2_446 |
8 |
3 |
9583 |
88.4 |
0.1 |
0.604 |
0 |
0 |
0 |
0.000 |
16 |
27 |
|
A |
10 |
4 |
9557 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
11 |
4 |
15190 |
79.9 |
-0.7 |
0.496 |
0 |
0 |
0 |
0.000 |
17 |
28 |
|
[FE]H:401 |
1 |
1 |
137 |
cf |
H |
x,y,z |
1_555 |
14 |
8 |
15922 |
73.6 |
-14.5 |
0.000 |
0 |
0 |
0 |
0.535 |
29 |
|
[FE]B:401 |
1 |
1 |
137 |
cf |
B |
x,y,z |
1_555 |
13 |
7 |
15190 |
73.5 |
-14.5 |
0.000 |
0 |
0 |
0 |
0.535 |
30 |
|
[FE]D:401 |
1 |
1 |
137 |
cf |
D |
x,y,z |
1_555 |
15 |
8 |
15530 |
73.3 |
-14.4 |
0.000 |
0 |
0 |
0 |
0.535 |
31 |
|
[FE]F:401 |
1 |
1 |
137 |
cf |
F |
x,y,z |
1_555 |
14 |
7 |
15443 |
73.2 |
-14.6 |
0.000 |
0 |
0 |
0 |
0.535 |
Average: |
73.4 |
-14.5 |
0.000 |
0 |
0 |
0 |
0.535 |
18 |
32 |
|
D |
5 |
3 |
15530 |
◊ |
H |
-x-1,y-1/2,-z |
2_445 |
7 |
3 |
15922 |
62.7 |
0.4 |
0.676 |
1 |
0 |
0 |
0.000 |
19 |
33 |
|
G |
6 |
4 |
9385 |
◊ |
E |
-x-1,y-1/2,-z |
2_445 |
9 |
5 |
9583 |
43.1 |
-0.0 |
0.575 |
0 |
0 |
0 |
0.000 |
20 |
34 |
|
C |
4 |
1 |
9647 |
◊ |
E |
-x-1,y-1/2,-z+1 |
2_446 |
4 |
2 |
9583 |
25.3 |
0.4 |
0.736 |
0 |
0 |
0 |
0.000 |
21 |
35 |
|
F |
3 |
2 |
15443 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
15190 |
17.1 |
-0.4 |
0.364 |
0 |
0 |
0 |
0.000 |
22 |
36 |
|
B |
3 |
1 |
15190 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
15190 |
13.5 |
-0.0 |
0.587 |
0 |
0 |
0 |
0.000 |
23 |
37 |
|
D |
2 |
2 |
15530 |
◊ |
C |
-x-1,y-1/2,-z+1 |
2_446 |
6 |
3 |
9647 |
11.8 |
0.0 |
0.638 |
0 |
0 |
0 |
0.000 |
24 |
38 |
|
B |
1 |
1 |
15190 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
9385 |
10.7 |
0.3 |
0.860 |
0 |
0 |
0 |
0.000 |
25 |
39 |
|
F |
4 |
1 |
15443 |
x |
F |
-x-1,y-1/2,-z |
2_445 |
1 |
1 |
15443 |
9.8 |
-0.3 |
0.342 |
0 |
0 |
0 |
0.000 |
26 |
40 |
|
A |
2 |
2 |
9557 |
◊ |
E |
-x-1,y-1/2,-z+1 |
2_446 |
3 |
1 |
9583 |
4.1 |
-0.1 |
0.546 |
0 |
0 |
0 |
0.000 |
|