## |
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 |
282 |
71 |
20270 |
◊ |
A |
x,y,z |
1_555 |
288 |
74 |
20044 |
2791.2 |
-37.8 |
0.012 |
32 |
9 |
0 |
0.446 |
2 |
2 |
|
A |
95 |
29 |
20044 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
93 |
30 |
20270 |
764.1 |
-1.4 |
0.730 |
8 |
8 |
0 |
0.000 |
3 |
3 |
|
[HEM]B:500 |
43 |
1 |
830 |
f |
B |
x,y,z |
1_555 |
79 |
24 |
20270 |
513.8 |
-17.6 |
0.305 |
1 |
0 |
0 |
0.302 |
4 |
|
[HEM]A:500 |
43 |
1 |
829 |
f |
A |
x,y,z |
1_555 |
78 |
24 |
20044 |
513.6 |
-17.6 |
0.311 |
1 |
0 |
0 |
0.302 |
Average: |
513.7 |
-17.6 |
0.308 |
1 |
0 |
0 |
0.302 |
4 |
5 |
|
A |
55 |
16 |
20044 |
x |
A |
-x,y-1/2,-z+1/2 |
4_545 |
52 |
15 |
20044 |
455.2 |
-3.7 |
0.440 |
2 |
1 |
0 |
0.000 |
5 |
6 |
|
[HW9]B:800 |
26 |
1 |
653 |
f |
B |
x,y,z |
1_555 |
51 |
20 |
20270 |
357.9 |
-3.7 |
0.333 |
1 |
0 |
0 |
0.067 |
7 |
|
[HW9]A:800 |
26 |
1 |
655 |
f |
A |
x,y,z |
1_555 |
48 |
19 |
20044 |
352.9 |
-3.4 |
0.349 |
1 |
0 |
0 |
0.067 |
Average: |
355.4 |
-3.6 |
0.341 |
1 |
0 |
0 |
0.067 |
6 |
8 |
|
B |
32 |
10 |
20270 |
x |
B |
x-1,y,z |
1_455 |
31 |
8 |
20270 |
296.7 |
-2.6 |
0.423 |
1 |
0 |
0 |
0.000 |
7 |
9 |
|
[H4B]A:600 |
17 |
1 |
399 |
f |
A |
x,y,z |
1_555 |
28 |
9 |
20044 |
189.7 |
2.6 |
0.489 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]B:600 |
17 |
1 |
395 |
f |
B |
x,y,z |
1_555 |
28 |
10 |
20270 |
189.3 |
2.7 |
0.509 |
2 |
0 |
0 |
0.000 |
Average: |
189.5 |
2.6 |
0.499 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
[HW9]A:800 |
20 |
1 |
655 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
32 |
1 |
829 |
161.2 |
-5.5 |
0.662 |
1 |
0 |
0 |
0.099 |
12 |
|
[HW9]B:800 |
20 |
1 |
653 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
31 |
1 |
830 |
157.8 |
-5.5 |
0.663 |
1 |
0 |
0 |
0.099 |
Average: |
159.5 |
-5.5 |
0.663 |
1 |
0 |
0 |
0.099 |
9 |
13 |
|
[H4B]A:600 |
13 |
1 |
399 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
20270 |
119.0 |
-0.1 |
0.269 |
1 |
0 |
0 |
0.009 |
14 |
|
[H4B]B:600 |
13 |
1 |
395 |
◊ |
A |
x,y,z |
1_555 |
25 |
6 |
20044 |
118.2 |
-0.1 |
0.282 |
1 |
0 |
0 |
0.009 |
Average: |
118.6 |
-0.1 |
0.275 |
1 |
0 |
0 |
0.009 |
10 |
15 |
|
[ACT]A:860 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
20044 |
114.1 |
-1.4 |
0.481 |
2 |
0 |
0 |
0.019 |
11 |
16 |
|
[ACT]B:860 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
20270 |
112.3 |
-1.4 |
0.490 |
2 |
0 |
0 |
0.019 |
12 |
17 |
|
[ACT]A:861 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
20044 |
87.9 |
1.3 |
0.864 |
3 |
0 |
0 |
0.004 |
18 |
|
[ACT]B:861 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
20270 |
87.3 |
1.3 |
0.860 |
4 |
0 |
0 |
0.004 |
Average: |
87.6 |
1.3 |
0.862 |
4 |
0 |
0 |
0.004 |
13 |
19 |
|
B |
9 |
4 |
20270 |
◊ |
A |
-x,y-1/2,-z+1/2 |
4_545 |
5 |
2 |
20044 |
48.4 |
-0.6 |
0.407 |
0 |
0 |
0 |
0.000 |
14 |
20 |
|
A |
7 |
4 |
20044 |
◊ |
B |
-x,y-1/2,-z+1/2 |
4_545 |
5 |
2 |
20270 |
47.6 |
-0.5 |
0.417 |
0 |
0 |
0 |
0.000 |
15 |
21 |
|
[ACT]B:861 |
3 |
1 |
183 |
f |
[HW9]B:800 |
x,y,z |
1_555 |
5 |
1 |
653 |
42.9 |
-0.1 |
0.639 |
0 |
0 |
0 |
0.001 |
22 |
|
[ACT]A:861 |
2 |
1 |
183 |
f |
[HW9]A:800 |
x,y,z |
1_555 |
5 |
1 |
655 |
41.3 |
-0.1 |
0.589 |
0 |
0 |
0 |
0.001 |
Average: |
42.1 |
-0.1 |
0.614 |
0 |
0 |
0 |
0.001 |
16 |
23 |
|
[H4B]A:600 |
4 |
1 |
399 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
5 |
1 |
829 |
40.3 |
-1.2 |
0.450 |
1 |
0 |
0 |
0.031 |
24 |
|
[H4B]B:600 |
3 |
1 |
395 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
5 |
1 |
830 |
39.2 |
-1.1 |
0.456 |
2 |
0 |
0 |
0.031 |
Average: |
39.7 |
-1.2 |
0.453 |
2 |
0 |
0 |
0.031 |
17 |
25 |
|
[ACT]B:860 |
3 |
1 |
183 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
5 |
1 |
830 |
35.7 |
-1.0 |
0.751 |
0 |
0 |
0 |
0.008 |
18 |
26 |
|
[ZN]B:1483 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20270 |
34.8 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.253 |
27 |
|
[ZN]B:1483 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20044 |
34.5 |
-20.0 |
0.000 |
0 |
0 |
0 |
0.253 |
Average: |
34.6 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.253 |
19 |
28 |
|
[ACT]A:860 |
3 |
1 |
183 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
5 |
1 |
829 |
33.8 |
-1.0 |
0.756 |
0 |
0 |
0 |
0.008 |
20 |
29 |
|
B |
7 |
2 |
20270 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
1 |
20044 |
26.8 |
0.7 |
0.825 |
0 |
0 |
0 |
0.000 |
21 |
30 |
|
A |
3 |
1 |
20044 |
x |
A |
-x+1,y-1/2,-z+1/2 |
4_645 |
5 |
2 |
20044 |
26.6 |
0.3 |
0.704 |
0 |
0 |
0 |
0.000 |
22 |
31 |
|
[HW9]A:800 |
2 |
1 |
655 |
f |
[H4B]A:600 |
x,y,z |
1_555 |
3 |
1 |
399 |
21.7 |
0.1 |
0.266 |
0 |
0 |
0 |
0.000 |
32 |
|
[HW9]B:800 |
2 |
1 |
653 |
f |
[H4B]B:600 |
x,y,z |
1_555 |
3 |
1 |
395 |
21.6 |
0.1 |
0.266 |
0 |
0 |
0 |
0.000 |
Average: |
21.6 |
0.1 |
0.266 |
0 |
0 |
0 |
0.000 |
23 |
33 |
|
[ACT]B:861 |
1 |
1 |
183 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
1 |
1 |
830 |
14.3 |
-1.0 |
0.341 |
0 |
0 |
0 |
0.016 |
34 |
|
[ACT]A:861 |
1 |
1 |
183 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
1 |
1 |
829 |
13.3 |
-0.9 |
0.358 |
0 |
0 |
0 |
0.016 |
Average: |
13.8 |
-0.9 |
0.349 |
0 |
0 |
0 |
0.016 |
24 |
35 |
|
[HW9]A:800 |
3 |
1 |
655 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
20270 |
3.1 |
0.0 |
0.577 |
0 |
0 |
0 |
0.000 |
36 |
|
[HW9]B:800 |
2 |
1 |
653 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
20044 |
2.0 |
-0.0 |
0.568 |
0 |
0 |
0 |
0.000 |
Average: |
2.5 |
0.0 |
0.572 |
0 |
0 |
0 |
0.000 |
|