## |
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 |
288 |
71 |
20245 |
◊ |
A |
x,y,z |
1_555 |
283 |
74 |
20025 |
2753.9 |
-36.5 |
0.015 |
36 |
11 |
0 |
0.449 |
2 |
2 |
|
A |
92 |
27 |
20025 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
91 |
28 |
20245 |
733.0 |
-2.1 |
0.681 |
6 |
4 |
0 |
0.000 |
3 |
3 |
|
[HEM]A:500 |
40 |
1 |
830 |
f |
A |
x,y,z |
1_555 |
78 |
24 |
20025 |
519.7 |
-18.3 |
0.289 |
1 |
0 |
0 |
0.308 |
4 |
|
[HEM]B:500 |
42 |
1 |
824 |
f |
B |
x,y,z |
1_555 |
77 |
24 |
20245 |
515.1 |
-17.9 |
0.285 |
1 |
0 |
0 |
0.308 |
Average: |
517.4 |
-18.1 |
0.287 |
1 |
0 |
0 |
0.308 |
4 |
5 |
|
A |
51 |
16 |
20025 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
45 |
14 |
20025 |
416.5 |
-5.9 |
0.226 |
1 |
1 |
0 |
0.000 |
5 |
6 |
|
B |
34 |
11 |
20245 |
x |
B |
x-1,y,z |
1_455 |
33 |
8 |
20245 |
306.3 |
-3.7 |
0.291 |
1 |
1 |
0 |
0.000 |
6 |
7 |
|
[9M9]B:800 |
20 |
1 |
502 |
f |
B |
x,y,z |
1_555 |
37 |
18 |
20245 |
241.3 |
-0.1 |
0.528 |
3 |
0 |
0 |
0.023 |
8 |
|
[9M9]A:800 |
20 |
1 |
507 |
f |
A |
x,y,z |
1_555 |
33 |
17 |
20025 |
236.8 |
-0.1 |
0.559 |
3 |
0 |
0 |
0.023 |
Average: |
239.1 |
-0.1 |
0.543 |
3 |
0 |
0 |
0.023 |
7 |
9 |
|
[H4B]B:600 |
17 |
1 |
396 |
f |
B |
x,y,z |
1_555 |
27 |
9 |
20245 |
176.2 |
2.4 |
0.509 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]A:600 |
17 |
1 |
395 |
f |
A |
x,y,z |
1_555 |
28 |
10 |
20025 |
174.7 |
2.4 |
0.527 |
2 |
0 |
0 |
0.000 |
Average: |
175.4 |
2.4 |
0.518 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
[9M9]A:800 |
17 |
1 |
507 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
31 |
1 |
830 |
139.6 |
-5.1 |
0.501 |
0 |
0 |
0 |
0.085 |
12 |
|
[9M9]B:800 |
18 |
1 |
502 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
31 |
1 |
824 |
138.6 |
-5.2 |
0.506 |
0 |
0 |
0 |
0.085 |
Average: |
139.1 |
-5.1 |
0.504 |
0 |
0 |
0 |
0.085 |
9 |
13 |
|
[ACT]A:860 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
20025 |
113.6 |
-1.4 |
0.492 |
2 |
0 |
0 |
0.019 |
10 |
14 |
|
[ACT]B:860 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
20245 |
113.5 |
-1.5 |
0.454 |
2 |
0 |
0 |
0.020 |
11 |
15 |
|
[H4B]A:600 |
13 |
1 |
395 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
20245 |
110.7 |
-0.2 |
0.274 |
1 |
0 |
0 |
0.011 |
16 |
|
[H4B]B:600 |
13 |
1 |
396 |
◊ |
A |
x,y,z |
1_555 |
24 |
6 |
20025 |
109.9 |
-0.2 |
0.281 |
1 |
0 |
0 |
0.011 |
Average: |
110.3 |
-0.2 |
0.278 |
1 |
0 |
0 |
0.011 |
12 |
17 |
|
[GOL]A:880 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
20025 |
85.5 |
0.3 |
0.647 |
2 |
0 |
0 |
0.005 |
13 |
18 |
|
[GOL]B:880 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
20245 |
85.1 |
0.4 |
0.634 |
3 |
0 |
0 |
0.008 |
14 |
19 |
|
[ACT]B:861 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
20245 |
84.9 |
1.3 |
0.862 |
3 |
0 |
0 |
0.001 |
20 |
|
[ACT]A:861 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
11 |
8 |
20025 |
82.9 |
1.6 |
0.872 |
4 |
0 |
0 |
0.001 |
Average: |
83.9 |
1.5 |
0.867 |
4 |
0 |
0 |
0.001 |
15 |
21 |
|
A |
9 |
5 |
20025 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
3 |
20245 |
63.0 |
-0.5 |
0.499 |
0 |
0 |
0 |
0.000 |
16 |
22 |
|
[GOL]B:880 |
6 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
15 |
3 |
20025 |
60.2 |
-0.1 |
0.642 |
0 |
0 |
0 |
0.000 |
17 |
23 |
|
[GOL]A:880 |
5 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
20245 |
60.0 |
0.1 |
0.677 |
0 |
0 |
0 |
0.000 |
18 |
24 |
|
B |
10 |
2 |
20245 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
3 |
20025 |
51.1 |
-0.5 |
0.458 |
0 |
0 |
0 |
0.000 |
19 |
25 |
|
[ACT]A:861 |
3 |
1 |
182 |
f |
[9M9]A:800 |
x,y,z |
1_555 |
11 |
1 |
507 |
48.3 |
-0.2 |
0.619 |
0 |
0 |
0 |
0.002 |
20 |
26 |
|
B |
4 |
3 |
20245 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
1 |
20025 |
43.6 |
-0.6 |
0.295 |
0 |
0 |
0 |
0.000 |
21 |
27 |
|
[ACT]B:861 |
4 |
1 |
183 |
f |
[9M9]B:800 |
x,y,z |
1_555 |
11 |
1 |
502 |
43.3 |
-0.2 |
0.615 |
0 |
0 |
0 |
0.001 |
22 |
28 |
|
[H4B]B:600 |
4 |
1 |
396 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
5 |
1 |
824 |
40.9 |
-1.2 |
0.465 |
2 |
0 |
0 |
0.034 |
29 |
|
[H4B]A:600 |
4 |
1 |
395 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
5 |
1 |
830 |
40.2 |
-1.2 |
0.461 |
2 |
0 |
0 |
0.034 |
Average: |
40.5 |
-1.2 |
0.463 |
2 |
0 |
0 |
0.034 |
23 |
30 |
|
[GOL]B:880 |
5 |
1 |
220 |
f |
[H4B]B:600 |
x,y,z |
1_555 |
7 |
1 |
396 |
40.0 |
0.1 |
0.284 |
3 |
0 |
0 |
0.010 |
24 |
31 |
|
[GOL]A:880 |
4 |
1 |
219 |
f |
[H4B]A:600 |
x,y,z |
1_555 |
7 |
1 |
395 |
39.7 |
0.1 |
0.279 |
4 |
0 |
0 |
0.014 |
25 |
32 |
|
[ACT]B:860 |
2 |
1 |
183 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
5 |
1 |
824 |
35.3 |
-1.1 |
0.694 |
0 |
0 |
0 |
0.009 |
26 |
33 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20025 |
34.6 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.251 |
34 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20245 |
34.2 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.251 |
Average: |
34.4 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.251 |
27 |
35 |
|
[ACT]A:860 |
3 |
1 |
182 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
5 |
1 |
830 |
32.4 |
-0.9 |
0.811 |
0 |
0 |
0 |
0.008 |
28 |
36 |
|
[GOL]A:880 |
3 |
1 |
219 |
f |
[9M9]A:800 |
x,y,z |
1_555 |
2 |
1 |
507 |
26.4 |
0.1 |
0.569 |
0 |
0 |
0 |
0.000 |
29 |
37 |
|
[GOL]B:880 |
3 |
1 |
220 |
f |
[9M9]B:800 |
x,y,z |
1_555 |
2 |
1 |
502 |
24.9 |
-0.1 |
0.564 |
0 |
0 |
0 |
0.001 |
30 |
38 |
|
[ACT]B:861 |
1 |
1 |
183 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
2 |
1 |
824 |
15.2 |
-1.0 |
0.469 |
0 |
0 |
0 |
0.017 |
39 |
|
[ACT]A:861 |
1 |
1 |
182 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
1 |
1 |
830 |
14.9 |
-1.0 |
0.341 |
0 |
0 |
0 |
0.017 |
Average: |
15.1 |
-1.0 |
0.405 |
0 |
0 |
0 |
0.017 |
31 |
40 |
|
[9M9]A:800 |
1 |
1 |
507 |
f |
[H4B]A:600 |
x,y,z |
1_555 |
1 |
1 |
395 |
12.5 |
-0.1 |
0.299 |
0 |
0 |
0 |
0.002 |
41 |
|
[9M9]B:800 |
1 |
1 |
502 |
f |
[H4B]B:600 |
x,y,z |
1_555 |
1 |
1 |
396 |
12.0 |
-0.1 |
0.299 |
0 |
0 |
0 |
0.002 |
Average: |
12.2 |
-0.1 |
0.299 |
0 |
0 |
0 |
0.002 |
|