## |
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 |
268 |
71 |
20072 |
◊ |
A |
x,y,z |
1_555 |
271 |
70 |
20143 |
2654.3 |
-38.2 |
0.009 |
36 |
10 |
0 |
0.442 |
2 |
2 |
|
A |
72 |
19 |
20143 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
69 |
19 |
20072 |
650.3 |
-1.3 |
0.699 |
14 |
0 |
0 |
0.000 |
3 |
3 |
|
[HEM]B:801 |
43 |
1 |
834 |
f |
B |
x,y,z |
1_555 |
75 |
24 |
20072 |
521.4 |
-17.5 |
0.300 |
1 |
0 |
0 |
0.285 |
4 |
|
[HEM]A:801 |
43 |
1 |
833 |
f |
A |
x,y,z |
1_555 |
77 |
23 |
20143 |
520.2 |
-17.5 |
0.286 |
1 |
0 |
0 |
0.285 |
Average: |
520.8 |
-17.5 |
0.293 |
1 |
0 |
0 |
0.285 |
4 |
5 |
|
B |
49 |
15 |
20072 |
x |
B |
x-1,y,z |
1_455 |
51 |
15 |
20072 |
472.6 |
-0.6 |
0.657 |
2 |
1 |
0 |
0.000 |
5 |
6 |
|
B |
39 |
12 |
20072 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
37 |
10 |
20143 |
330.9 |
-1.8 |
0.543 |
2 |
2 |
0 |
0.000 |
6 |
7 |
|
[QJ4]A:803 |
23 |
1 |
601 |
f |
A |
x,y,z |
1_555 |
45 |
18 |
20143 |
329.1 |
-1.9 |
0.541 |
3 |
0 |
0 |
0.056 |
8 |
|
[QJ4]B:803 |
22 |
1 |
608 |
f |
B |
x,y,z |
1_555 |
43 |
18 |
20072 |
319.2 |
-2.5 |
0.442 |
3 |
0 |
0 |
0.056 |
Average: |
324.2 |
-2.2 |
0.492 |
3 |
0 |
0 |
0.056 |
7 |
9 |
|
A |
28 |
11 |
20143 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
22 |
9 |
20072 |
202.0 |
-0.9 |
0.589 |
0 |
0 |
0 |
0.000 |
8 |
10 |
|
[H4B]B:802 |
17 |
1 |
399 |
f |
B |
x,y,z |
1_555 |
30 |
10 |
20072 |
198.6 |
2.1 |
0.467 |
2 |
0 |
0 |
0.000 |
11 |
|
[H4B]A:802 |
17 |
1 |
398 |
f |
A |
x,y,z |
1_555 |
30 |
9 |
20143 |
192.8 |
1.6 |
0.424 |
3 |
0 |
0 |
0.000 |
Average: |
195.7 |
1.8 |
0.446 |
3 |
0 |
0 |
0.000 |
9 |
12 |
|
[QJ4]B:803 |
17 |
1 |
608 |
f |
[HEM]B:801 |
x,y,z |
1_555 |
32 |
1 |
834 |
174.8 |
-6.4 |
0.794 |
3 |
0 |
0 |
0.119 |
13 |
|
[QJ4]A:803 |
17 |
1 |
601 |
f |
[HEM]A:801 |
x,y,z |
1_555 |
34 |
1 |
833 |
170.9 |
-6.4 |
0.774 |
2 |
0 |
0 |
0.119 |
Average: |
172.8 |
-6.4 |
0.784 |
3 |
0 |
0 |
0.119 |
10 |
14 |
|
[H4B]B:802 |
13 |
1 |
399 |
◊ |
A |
x,y,z |
1_555 |
21 |
6 |
20143 |
119.1 |
-0.1 |
0.260 |
1 |
0 |
0 |
0.009 |
15 |
|
[H4B]A:802 |
13 |
1 |
398 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
20072 |
118.6 |
-0.1 |
0.278 |
1 |
0 |
0 |
0.009 |
Average: |
118.9 |
-0.1 |
0.269 |
1 |
0 |
0 |
0.009 |
11 |
16 |
|
[ACT]B:804 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
20072 |
113.9 |
-1.4 |
0.492 |
1 |
0 |
0 |
0.015 |
12 |
17 |
|
[ACT]A:804 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
20143 |
112.2 |
-1.4 |
0.466 |
1 |
0 |
0 |
0.015 |
13 |
18 |
|
[H4B]A:802 |
4 |
1 |
398 |
f |
[HEM]A:801 |
x,y,z |
1_555 |
5 |
1 |
833 |
43.7 |
-1.3 |
0.452 |
2 |
0 |
0 |
0.031 |
19 |
|
[H4B]B:802 |
5 |
1 |
399 |
f |
[HEM]B:801 |
x,y,z |
1_555 |
5 |
1 |
834 |
43.5 |
-1.3 |
0.416 |
1 |
0 |
0 |
0.031 |
Average: |
43.6 |
-1.3 |
0.434 |
2 |
0 |
0 |
0.031 |
14 |
20 |
|
[ACT]B:804 |
3 |
1 |
183 |
f |
[HEM]B:801 |
x,y,z |
1_555 |
5 |
1 |
834 |
36.1 |
-1.1 |
0.753 |
0 |
0 |
0 |
0.009 |
15 |
21 |
|
[ACT]A:804 |
3 |
1 |
183 |
f |
[HEM]A:801 |
x,y,z |
1_555 |
5 |
1 |
833 |
36.1 |
-1.1 |
0.753 |
0 |
0 |
0 |
0.009 |
16 |
22 |
|
[ZN]A:805 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20072 |
34.6 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.243 |
23 |
|
[ZN]A:805 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20143 |
34.2 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.243 |
Average: |
34.4 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.243 |
17 |
24 |
|
[QJ4]B:803 |
1 |
1 |
608 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
20143 |
33.3 |
-1.1 |
0.170 |
0 |
0 |
0 |
0.016 |
25 |
|
[QJ4]A:803 |
2 |
1 |
601 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
20072 |
31.5 |
-1.0 |
0.304 |
0 |
0 |
0 |
0.016 |
Average: |
32.4 |
-1.0 |
0.237 |
0 |
0 |
0 |
0.016 |
18 |
26 |
|
A |
2 |
1 |
20143 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
20143 |
15.0 |
-0.5 |
0.207 |
0 |
0 |
0 |
0.000 |
19 |
27 |
|
[QJ4]B:803 |
4 |
1 |
608 |
f |
[H4B]B:802 |
x,y,z |
1_555 |
3 |
1 |
399 |
13.8 |
-0.4 |
0.347 |
0 |
0 |
0 |
0.006 |
28 |
|
[QJ4]A:803 |
2 |
1 |
601 |
f |
[H4B]A:802 |
x,y,z |
1_555 |
3 |
1 |
398 |
11.6 |
-0.4 |
0.347 |
0 |
0 |
0 |
0.006 |
Average: |
12.7 |
-0.4 |
0.347 |
0 |
0 |
0 |
0.006 |
20 |
29 |
|
B |
1 |
1 |
20072 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
20072 |
5.7 |
0.3 |
0.858 |
0 |
0 |
0 |
0.000 |
21 |
30 |
|
A |
1 |
1 |
20143 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
20072 |
2.5 |
-0.0 |
0.563 |
0 |
0 |
0 |
0.000 |
|