## |
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 |
|
D |
290 |
79 |
15605 |
◊ |
C |
x,y,z |
1_555 |
294 |
70 |
9744 |
2932.6 |
-37.3 |
0.025 |
48 |
12 |
0 |
0.836 |
2 |
|
B |
293 |
81 |
15230 |
◊ |
A |
x,y,z |
1_555 |
293 |
71 |
9462 |
2912.6 |
-39.0 |
0.018 |
48 |
11 |
0 |
0.836 |
3 |
|
F |
276 |
78 |
15358 |
◊ |
E |
x,y,z |
1_555 |
282 |
69 |
9488 |
2780.1 |
-39.0 |
0.011 |
47 |
8 |
0 |
0.836 |
4 |
|
H |
276 |
77 |
15857 |
◊ |
G |
x,y,z |
1_555 |
275 |
65 |
9432 |
2770.3 |
-35.0 |
0.050 |
47 |
9 |
0 |
0.836 |
Average: |
2848.9 |
-37.6 |
0.026 |
48 |
10 |
0 |
0.836 |
2 |
5 |
|
H |
141 |
38 |
15857 |
◊ |
F |
x,y,z |
1_555 |
140 |
37 |
15358 |
1398.3 |
-19.9 |
0.121 |
10 |
1 |
0 |
0.510 |
6 |
|
D |
135 |
37 |
15605 |
◊ |
B |
x-1,y,z |
1_455 |
144 |
38 |
15230 |
1391.6 |
-21.5 |
0.068 |
8 |
1 |
0 |
0.510 |
Average: |
1395.0 |
-20.7 |
0.095 |
9 |
1 |
0 |
0.510 |
3 |
7 |
|
G |
30 |
13 |
9432 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
24 |
6 |
15857 |
283.6 |
-4.6 |
0.120 |
1 |
0 |
0 |
0.000 |
4 |
8 |
|
F |
24 |
11 |
15358 |
◊ |
G |
x-1,y,z |
1_455 |
28 |
10 |
9432 |
264.2 |
-0.8 |
0.610 |
1 |
2 |
0 |
0.000 |
9 |
|
D |
17 |
9 |
15605 |
◊ |
A |
x,y,z |
1_555 |
20 |
7 |
9462 |
202.6 |
-1.6 |
0.388 |
1 |
0 |
0 |
0.000 |
10 |
|
B |
18 |
8 |
15230 |
◊ |
C |
x,y,z |
1_555 |
21 |
8 |
9744 |
195.0 |
-1.7 |
0.393 |
1 |
0 |
0 |
0.000 |
11 |
|
E |
22 |
9 |
9488 |
◊ |
H |
x-1,y,z |
1_455 |
18 |
9 |
15857 |
192.1 |
-1.7 |
0.349 |
1 |
0 |
0 |
0.000 |
Average: |
213.5 |
-1.4 |
0.435 |
1 |
1 |
0 |
0.000 |
5 |
12 |
|
D |
23 |
6 |
15605 |
◊ |
B |
x,y,z |
1_555 |
23 |
6 |
15230 |
229.4 |
1.1 |
0.860 |
0 |
2 |
0 |
0.000 |
13 |
|
F |
22 |
7 |
15358 |
◊ |
H |
x-1,y,z |
1_455 |
21 |
6 |
15857 |
209.1 |
-1.7 |
0.528 |
1 |
1 |
0 |
0.000 |
Average: |
219.3 |
-0.3 |
0.694 |
1 |
2 |
0 |
0.000 |
6 |
14 |
|
C |
20 |
5 |
9744 |
◊ |
B |
x-1,y,z |
1_455 |
35 |
9 |
15230 |
219.5 |
-1.2 |
0.553 |
2 |
0 |
0 |
0.034 |
15 |
|
D |
31 |
9 |
15605 |
◊ |
A |
x-1,y,z |
1_455 |
18 |
5 |
9462 |
217.9 |
-1.0 |
0.546 |
2 |
0 |
0 |
0.034 |
16 |
|
F |
29 |
9 |
15358 |
◊ |
G |
x,y,z |
1_555 |
18 |
5 |
9432 |
215.0 |
-1.3 |
0.487 |
4 |
0 |
0 |
0.034 |
17 |
|
H |
30 |
8 |
15857 |
◊ |
E |
x,y,z |
1_555 |
19 |
5 |
9488 |
212.5 |
-1.8 |
0.486 |
2 |
0 |
0 |
0.034 |
Average: |
216.2 |
-1.4 |
0.518 |
3 |
0 |
0 |
0.034 |
7 |
18 |
|
B |
19 |
5 |
15230 |
◊ |
E |
-x-1,y-1/2,-z+1 |
2_446 |
26 |
9 |
9488 |
206.1 |
-0.8 |
0.408 |
1 |
0 |
0 |
0.000 |
8 |
19 |
|
F |
26 |
8 |
15358 |
◊ |
C |
x,y,z-1 |
1_554 |
23 |
8 |
9744 |
193.1 |
0.9 |
0.775 |
0 |
1 |
0 |
0.000 |
9 |
20 |
|
D |
20 |
5 |
15605 |
◊ |
H |
-x-1,y-1/2,-z+1 |
2_446 |
15 |
5 |
15857 |
157.5 |
2.8 |
0.953 |
1 |
0 |
0 |
0.000 |
10 |
21 |
|
[NPO]B:402 |
10 |
1 |
281 |
f |
B |
x,y,z |
1_555 |
26 |
14 |
15230 |
154.0 |
3.3 |
0.280 |
3 |
0 |
0 |
0.000 |
22 |
|
[NPO]F:402 |
10 |
1 |
278 |
f |
F |
x,y,z |
1_555 |
24 |
14 |
15358 |
152.3 |
3.3 |
0.254 |
2 |
0 |
0 |
0.000 |
Average: |
153.2 |
3.3 |
0.267 |
3 |
0 |
0 |
0.000 |
11 |
23 |
|
A |
17 |
7 |
9462 |
◊ |
C |
-x-1,y-1/2,-z+1 |
2_446 |
15 |
5 |
9744 |
152.9 |
-1.3 |
0.309 |
3 |
0 |
0 |
0.000 |
12 |
24 |
|
[NPO]D:402 |
10 |
1 |
280 |
f |
D |
x,y,z |
1_555 |
28 |
14 |
15605 |
152.2 |
3.4 |
0.343 |
2 |
0 |
0 |
0.000 |
13 |
25 |
|
[NPO]H:402 |
10 |
1 |
278 |
f |
H |
x,y,z |
1_555 |
27 |
15 |
15857 |
152.0 |
3.3 |
0.318 |
2 |
0 |
0 |
0.000 |
14 |
26 |
|
F |
15 |
4 |
15358 |
◊ |
D |
x,y,z |
1_555 |
17 |
5 |
15605 |
141.3 |
-0.8 |
0.584 |
1 |
0 |
0 |
0.000 |
15 |
27 |
|
H |
16 |
5 |
15857 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
15230 |
108.2 |
-0.9 |
0.578 |
1 |
0 |
0 |
0.000 |
16 |
28 |
|
A |
16 |
8 |
9462 |
◊ |
F |
-x-1,y-1/2,-z |
2_445 |
13 |
8 |
15358 |
104.7 |
3.0 |
0.926 |
0 |
0 |
0 |
0.000 |
17 |
29 |
|
F |
15 |
4 |
15358 |
◊ |
E |
-x-1,y-1/2,-z |
2_445 |
9 |
4 |
9488 |
102.3 |
1.1 |
0.787 |
3 |
0 |
0 |
0.000 |
18 |
30 |
|
A |
11 |
4 |
9462 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
12 |
4 |
15230 |
95.4 |
0.0 |
0.670 |
0 |
0 |
0 |
0.000 |
19 |
31 |
|
D |
8 |
3 |
15605 |
◊ |
H |
-x-1,y-1/2,-z |
2_445 |
8 |
3 |
15857 |
74.9 |
-0.5 |
0.577 |
1 |
0 |
0 |
0.000 |
20 |
32 |
|
G |
7 |
4 |
9432 |
◊ |
E |
-x-1,y-1/2,-z |
2_445 |
10 |
5 |
9488 |
66.6 |
-0.3 |
0.466 |
0 |
0 |
0 |
0.000 |
21 |
33 |
|
D |
8 |
2 |
15605 |
◊ |
E |
-x-1,y-1/2,-z+1 |
2_446 |
7 |
3 |
9488 |
57.6 |
-0.7 |
0.422 |
0 |
0 |
0 |
0.000 |
22 |
34 |
|
[FE]H:401 |
1 |
1 |
137 |
f |
H |
x,y,z |
1_555 |
11 |
7 |
15857 |
55.1 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.444 |
35 |
|
[FE]B:401 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
15230 |
54.8 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.444 |
36 |
|
[FE]D:401 |
1 |
1 |
137 |
cf |
D |
x,y,z |
1_555 |
13 |
7 |
15605 |
54.2 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.444 |
37 |
|
[FE]F:401 |
1 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
11 |
7 |
15358 |
54.2 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.444 |
Average: |
54.6 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.444 |
23 |
38 |
|
[NPO]F:402 |
3 |
1 |
278 |
f |
[FE]F:401 |
x,y,z |
1_555 |
1 |
1 |
137 |
40.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.149 |
39 |
|
[NPO]H:402 |
3 |
1 |
278 |
cf |
[FE]H:401 |
x,y,z |
1_555 |
1 |
1 |
137 |
39.8 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.149 |
40 |
|
[NPO]D:402 |
4 |
1 |
280 |
cf |
[FE]D:401 |
x,y,z |
1_555 |
1 |
1 |
137 |
39.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.149 |
41 |
|
[NPO]B:402 |
3 |
1 |
281 |
f |
[FE]B:401 |
x,y,z |
1_555 |
1 |
1 |
137 |
39.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.149 |
Average: |
39.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.149 |
24 |
42 |
|
F |
3 |
2 |
15358 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
15230 |
28.0 |
-0.6 |
0.267 |
0 |
0 |
0 |
0.000 |
25 |
43 |
|
B |
1 |
1 |
15230 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
9432 |
17.1 |
0.5 |
0.895 |
0 |
0 |
0 |
0.000 |
26 |
44 |
|
D |
2 |
2 |
15605 |
◊ |
C |
-x-1,y-1/2,-z+1 |
2_446 |
7 |
2 |
9744 |
15.9 |
-0.3 |
0.431 |
0 |
0 |
0 |
0.000 |
27 |
45 |
|
B |
2 |
2 |
15230 |
◊ |
F |
-x-1,y-1/2,-z |
2_445 |
2 |
2 |
15358 |
6.3 |
-0.0 |
0.584 |
0 |
0 |
0 |
0.000 |
28 |
46 |
|
F |
2 |
1 |
15358 |
x |
F |
-x-1,y-1/2,-z |
2_445 |
1 |
1 |
15358 |
6.1 |
0.1 |
0.765 |
0 |
0 |
0 |
0.000 |
29 |
47 |
|
C |
2 |
1 |
9744 |
◊ |
E |
-x-1,y-1/2,-z+1 |
2_446 |
1 |
1 |
9488 |
3.4 |
0.0 |
0.663 |
0 |
0 |
0 |
0.000 |
30 |
48 |
|
A |
2 |
2 |
9462 |
◊ |
E |
-x-1,y-1/2,-z+1 |
2_446 |
4 |
2 |
9488 |
2.9 |
-0.0 |
0.592 |
0 |
0 |
0 |
0.000 |
31 |
49 |
|
H |
1 |
1 |
15857 |
x |
H |
-x,y-1/2,-z |
2_545 |
1 |
1 |
15857 |
0.6 |
0.0 |
0.626 |
0 |
0 |
0 |
0.000 |
|