## |
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 |
287 |
71 |
19979 |
◊ |
A |
x,y,z |
1_555 |
278 |
75 |
19912 |
2753.3 |
-37.4 |
0.013 |
32 |
10 |
0 |
0.446 |
2 |
2 |
|
A |
90 |
26 |
19912 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
88 |
29 |
19979 |
717.3 |
-3.1 |
0.627 |
7 |
8 |
0 |
0.000 |
3 |
3 |
|
[HEM]B:500 |
41 |
1 |
836 |
f |
B |
x,y,z |
1_555 |
78 |
24 |
19979 |
514.4 |
-17.8 |
0.298 |
1 |
0 |
0 |
0.306 |
4 |
|
[HEM]A:500 |
42 |
1 |
840 |
f |
A |
x,y,z |
1_555 |
77 |
23 |
19912 |
513.9 |
-17.8 |
0.298 |
1 |
0 |
0 |
0.306 |
Average: |
514.2 |
-17.8 |
0.298 |
1 |
0 |
0 |
0.306 |
4 |
5 |
|
A |
56 |
18 |
19912 |
x |
A |
-x,y-1/2,-z+1/2 |
4_545 |
50 |
14 |
19912 |
442.3 |
-4.0 |
0.412 |
1 |
1 |
0 |
0.000 |
5 |
6 |
|
[HW1]A:800 |
27 |
1 |
673 |
f |
A |
x,y,z |
1_555 |
52 |
20 |
19912 |
362.0 |
-2.7 |
0.337 |
4 |
0 |
0 |
0.075 |
7 |
|
[HW1]B:800 |
27 |
1 |
675 |
f |
B |
x,y,z |
1_555 |
49 |
20 |
19979 |
358.6 |
-2.6 |
0.338 |
4 |
0 |
0 |
0.075 |
Average: |
360.3 |
-2.7 |
0.338 |
4 |
0 |
0 |
0.075 |
6 |
8 |
|
B |
31 |
11 |
19979 |
x |
B |
x-1,y,z |
1_455 |
26 |
8 |
19979 |
295.9 |
-3.1 |
0.334 |
3 |
0 |
0 |
0.000 |
7 |
9 |
|
[H2B]B:600 |
17 |
1 |
398 |
f |
B |
x,y,z |
1_555 |
27 |
8 |
19979 |
189.5 |
2.6 |
0.500 |
2 |
0 |
0 |
0.000 |
10 |
|
[H2B]A:600 |
17 |
1 |
399 |
f |
A |
x,y,z |
1_555 |
26 |
9 |
19912 |
189.4 |
2.6 |
0.497 |
2 |
0 |
0 |
0.000 |
Average: |
189.4 |
2.6 |
0.498 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
[HW1]B:800 |
22 |
1 |
675 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
33 |
1 |
836 |
168.8 |
-5.0 |
0.617 |
1 |
0 |
0 |
0.089 |
12 |
|
[HW1]A:800 |
22 |
1 |
673 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
35 |
1 |
840 |
168.3 |
-4.8 |
0.636 |
1 |
0 |
0 |
0.089 |
Average: |
168.6 |
-4.9 |
0.626 |
1 |
0 |
0 |
0.089 |
9 |
13 |
|
[H2B]B:600 |
13 |
1 |
398 |
◊ |
A |
x,y,z |
1_555 |
25 |
6 |
19912 |
119.7 |
-0.1 |
0.279 |
1 |
0 |
0 |
0.010 |
14 |
|
[H2B]A:600 |
13 |
1 |
399 |
◊ |
B |
x,y,z |
1_555 |
20 |
6 |
19979 |
118.3 |
-0.2 |
0.258 |
1 |
0 |
0 |
0.010 |
Average: |
119.0 |
-0.2 |
0.269 |
1 |
0 |
0 |
0.010 |
10 |
15 |
|
[ACT]A:860 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
19912 |
110.6 |
-1.3 |
0.502 |
2 |
0 |
0 |
0.018 |
11 |
16 |
|
[ACT]B:860 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
19979 |
109.4 |
-1.3 |
0.495 |
2 |
0 |
0 |
0.019 |
12 |
17 |
|
B |
15 |
5 |
19979 |
◊ |
A |
-x,y-1/2,-z+1/2 |
4_545 |
12 |
5 |
19912 |
90.8 |
-1.1 |
0.437 |
1 |
0 |
0 |
0.000 |
13 |
18 |
|
[ACT]B:861 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
19979 |
88.6 |
1.3 |
0.860 |
4 |
0 |
0 |
0.008 |
19 |
|
[ACT]A:861 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
19912 |
86.1 |
1.4 |
0.862 |
4 |
0 |
0 |
0.008 |
Average: |
87.4 |
1.3 |
0.861 |
4 |
0 |
0 |
0.008 |
14 |
20 |
|
A |
7 |
4 |
19912 |
◊ |
B |
-x,y-1/2,-z+1/2 |
4_545 |
5 |
2 |
19979 |
49.6 |
-0.6 |
0.408 |
0 |
0 |
0 |
0.000 |
15 |
21 |
|
B |
5 |
3 |
19979 |
◊ |
A |
x-1,y,z |
1_455 |
6 |
2 |
19912 |
45.2 |
0.9 |
0.822 |
0 |
0 |
0 |
0.000 |
16 |
22 |
|
[H2B]A:600 |
4 |
1 |
399 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
5 |
1 |
840 |
40.9 |
-1.2 |
0.452 |
1 |
0 |
0 |
0.027 |
23 |
|
[H2B]B:600 |
4 |
1 |
398 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
5 |
1 |
836 |
39.3 |
-1.1 |
0.461 |
1 |
0 |
0 |
0.027 |
Average: |
40.1 |
-1.2 |
0.456 |
1 |
0 |
0 |
0.027 |
17 |
24 |
|
[ACT]B:861 |
3 |
1 |
183 |
f |
[HW1]B:800 |
x,y,z |
1_555 |
5 |
1 |
675 |
40.0 |
-0.1 |
0.608 |
0 |
0 |
0 |
0.001 |
25 |
|
[ACT]A:861 |
3 |
1 |
182 |
f |
[HW1]A:800 |
x,y,z |
1_555 |
5 |
1 |
673 |
39.9 |
-0.1 |
0.631 |
0 |
0 |
0 |
0.001 |
Average: |
40.0 |
-0.1 |
0.620 |
0 |
0 |
0 |
0.001 |
18 |
26 |
|
[ACT]B:860 |
3 |
1 |
182 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
6 |
1 |
836 |
37.2 |
-1.1 |
0.762 |
0 |
0 |
0 |
0.009 |
19 |
27 |
|
[ACT]A:860 |
3 |
1 |
183 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
5 |
1 |
840 |
35.0 |
-1.0 |
0.753 |
0 |
0 |
0 |
0.008 |
20 |
28 |
|
[ZN]B:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
19979 |
34.3 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.254 |
29 |
|
[ZN]B:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19912 |
34.1 |
-20.0 |
0.000 |
0 |
0 |
0 |
0.254 |
Average: |
34.2 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.254 |
21 |
30 |
|
[HW1]B:800 |
2 |
1 |
675 |
f |
[H2B]B:600 |
x,y,z |
1_555 |
3 |
1 |
398 |
22.7 |
0.1 |
0.261 |
0 |
0 |
0 |
0.000 |
31 |
|
[HW1]A:800 |
2 |
1 |
673 |
f |
[H2B]A:600 |
x,y,z |
1_555 |
3 |
1 |
399 |
21.6 |
0.1 |
0.257 |
0 |
0 |
0 |
0.000 |
Average: |
22.2 |
0.1 |
0.259 |
0 |
0 |
0 |
0.000 |
22 |
32 |
|
[ACT]B:861 |
1 |
1 |
183 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
1 |
1 |
836 |
14.1 |
-1.0 |
0.341 |
0 |
0 |
0 |
0.016 |
33 |
|
[ACT]A:861 |
1 |
1 |
182 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
1 |
1 |
840 |
13.7 |
-0.9 |
0.358 |
0 |
0 |
0 |
0.016 |
Average: |
13.9 |
-0.9 |
0.349 |
0 |
0 |
0 |
0.016 |
23 |
34 |
|
A |
2 |
1 |
19912 |
x |
A |
-x+1,y-1/2,-z+1/2 |
4_645 |
4 |
2 |
19912 |
14.0 |
0.2 |
0.741 |
0 |
0 |
0 |
0.000 |
24 |
35 |
|
[HW1]A:800 |
2 |
1 |
673 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
19979 |
3.4 |
0.0 |
0.533 |
0 |
0 |
0 |
0.000 |
36 |
|
[HW1]B:800 |
3 |
1 |
675 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
19912 |
2.6 |
-0.0 |
0.530 |
0 |
0 |
0 |
0.000 |
Average: |
3.0 |
0.0 |
0.531 |
0 |
0 |
0 |
0.000 |
|