## |
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 |
269 |
69 |
20114 |
◊ |
A |
x,y,z |
1_555 |
269 |
70 |
20078 |
2636.4 |
-40.5 |
0.004 |
38 |
10 |
0 |
0.502 |
2 |
2 |
|
A |
66 |
19 |
20078 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
68 |
19 |
20114 |
659.5 |
-1.3 |
0.679 |
18 |
0 |
0 |
0.000 |
3 |
3 |
|
[HEM]A:750 |
43 |
1 |
828 |
f |
A |
x,y,z |
1_555 |
80 |
24 |
20078 |
523.0 |
-17.5 |
0.306 |
0 |
0 |
0 |
0.299 |
4 |
|
[HEM]B:750 |
43 |
1 |
827 |
f |
B |
x,y,z |
1_555 |
76 |
24 |
20114 |
519.2 |
-17.6 |
0.279 |
0 |
0 |
0 |
0.299 |
Average: |
521.1 |
-17.6 |
0.293 |
0 |
0 |
0 |
0.299 |
4 |
5 |
|
B |
49 |
15 |
20114 |
x |
B |
x-1,y,z |
1_455 |
50 |
15 |
20114 |
453.8 |
0.7 |
0.668 |
1 |
0 |
0 |
0.000 |
5 |
6 |
|
[HW8]B:800 |
25 |
1 |
646 |
f |
B |
x,y,z |
1_555 |
51 |
21 |
20114 |
361.7 |
-0.2 |
0.426 |
0 |
0 |
0 |
0.005 |
7 |
|
[HW8]A:800 |
24 |
1 |
636 |
f |
A |
x,y,z |
1_555 |
51 |
20 |
20078 |
357.0 |
-0.3 |
0.429 |
0 |
0 |
0 |
0.005 |
Average: |
359.3 |
-0.3 |
0.427 |
0 |
0 |
0 |
0.005 |
6 |
8 |
|
B |
36 |
11 |
20114 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
37 |
9 |
20078 |
325.8 |
-1.5 |
0.548 |
1 |
1 |
0 |
0.000 |
7 |
9 |
|
A |
24 |
11 |
20078 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
23 |
10 |
20114 |
198.5 |
-0.1 |
0.667 |
2 |
2 |
0 |
0.000 |
8 |
10 |
|
[H4B]B:760 |
17 |
1 |
402 |
f |
B |
x,y,z |
1_555 |
26 |
8 |
20114 |
187.9 |
1.7 |
0.428 |
2 |
0 |
0 |
0.000 |
11 |
|
[H4B]A:760 |
17 |
1 |
398 |
f |
A |
x,y,z |
1_555 |
26 |
9 |
20078 |
187.1 |
1.8 |
0.447 |
2 |
0 |
0 |
0.000 |
Average: |
187.5 |
1.8 |
0.437 |
2 |
0 |
0 |
0.000 |
9 |
12 |
|
[HW8]B:800 |
18 |
1 |
646 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
32 |
1 |
827 |
169.7 |
-4.5 |
0.673 |
3 |
0 |
0 |
0.095 |
13 |
|
[HW8]A:800 |
19 |
1 |
636 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
31 |
1 |
828 |
166.2 |
-4.4 |
0.678 |
2 |
0 |
0 |
0.095 |
Average: |
167.9 |
-4.4 |
0.676 |
3 |
0 |
0 |
0.095 |
10 |
14 |
|
[H4B]B:760 |
13 |
1 |
402 |
◊ |
A |
x,y,z |
1_555 |
20 |
6 |
20078 |
117.9 |
-0.2 |
0.250 |
1 |
0 |
0 |
0.010 |
15 |
|
[H4B]A:760 |
13 |
1 |
398 |
◊ |
B |
x,y,z |
1_555 |
21 |
6 |
20114 |
114.6 |
-0.1 |
0.276 |
1 |
0 |
0 |
0.010 |
Average: |
116.3 |
-0.1 |
0.263 |
1 |
0 |
0 |
0.010 |
11 |
16 |
|
[ACT]B:860 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
20114 |
114.5 |
-1.4 |
0.483 |
1 |
0 |
0 |
0.016 |
12 |
17 |
|
[ACT]A:860 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
20078 |
113.0 |
-1.4 |
0.475 |
1 |
0 |
0 |
0.016 |
13 |
18 |
|
[H4B]A:760 |
4 |
1 |
398 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
828 |
40.9 |
-1.2 |
0.455 |
2 |
0 |
0 |
0.035 |
19 |
|
[H4B]B:760 |
4 |
1 |
402 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
827 |
40.6 |
-1.1 |
0.462 |
2 |
0 |
0 |
0.035 |
Average: |
40.7 |
-1.1 |
0.458 |
2 |
0 |
0 |
0.035 |
14 |
20 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20078 |
34.7 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.257 |
21 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20114 |
34.4 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.257 |
Average: |
34.6 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.257 |
15 |
22 |
|
[ACT]A:860 |
3 |
1 |
182 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
828 |
34.6 |
-1.1 |
0.752 |
0 |
0 |
0 |
0.009 |
16 |
23 |
|
[ACT]B:860 |
3 |
1 |
184 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
827 |
34.3 |
-1.1 |
0.755 |
0 |
0 |
0 |
0.009 |
17 |
24 |
|
[HW8]B:800 |
3 |
1 |
646 |
f |
[H4B]B:760 |
x,y,z |
1_555 |
3 |
1 |
402 |
32.3 |
0.4 |
0.316 |
1 |
0 |
0 |
0.002 |
25 |
|
[HW8]A:800 |
3 |
1 |
636 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
3 |
1 |
398 |
32.1 |
0.3 |
0.310 |
1 |
0 |
0 |
0.002 |
Average: |
32.2 |
0.3 |
0.313 |
1 |
0 |
0 |
0.002 |
18 |
26 |
|
[HW8]A:800 |
1 |
1 |
636 |
◊ |
B |
x,y,z |
1_555 |
6 |
1 |
20114 |
32.1 |
-1.0 |
0.160 |
0 |
0 |
0 |
0.017 |
27 |
|
[HW8]B:800 |
1 |
1 |
646 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
20078 |
31.9 |
-1.0 |
0.164 |
0 |
0 |
0 |
0.017 |
Average: |
32.0 |
-1.0 |
0.162 |
0 |
0 |
0 |
0.017 |
19 |
28 |
|
B |
1 |
1 |
20114 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
3 |
20114 |
19.2 |
1.0 |
0.891 |
1 |
0 |
0 |
0.000 |
20 |
29 |
|
A |
2 |
1 |
20078 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
20078 |
12.0 |
-0.4 |
0.255 |
0 |
0 |
0 |
0.000 |
21 |
30 |
|
A |
1 |
1 |
20078 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
20114 |
2.9 |
-0.0 |
0.551 |
0 |
0 |
0 |
0.000 |
|