## |
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 |
72 |
20326 |
◊ |
A |
x,y,z |
1_555 |
285 |
74 |
20259 |
2753.3 |
-35.3 |
0.019 |
33 |
9 |
0 |
0.410 |
2 |
2 |
|
A |
88 |
26 |
20259 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
86 |
28 |
20326 |
704.8 |
-2.5 |
0.648 |
6 |
5 |
0 |
0.000 |
3 |
3 |
|
[HEM]B:500 |
42 |
1 |
837 |
f |
B |
x,y,z |
1_555 |
80 |
24 |
20326 |
518.2 |
-18.1 |
0.308 |
1 |
0 |
0 |
0.295 |
4 |
|
[HEM]A:500 |
41 |
1 |
833 |
f |
A |
x,y,z |
1_555 |
79 |
24 |
20259 |
512.9 |
-17.9 |
0.296 |
1 |
0 |
0 |
0.295 |
Average: |
515.5 |
-18.0 |
0.302 |
1 |
0 |
0 |
0.295 |
4 |
5 |
|
A |
55 |
18 |
20259 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
46 |
15 |
20259 |
406.1 |
-5.5 |
0.260 |
1 |
1 |
0 |
0.000 |
5 |
6 |
|
B |
30 |
10 |
20326 |
x |
B |
x-1,y,z |
1_455 |
33 |
8 |
20326 |
324.7 |
-3.5 |
0.294 |
0 |
1 |
0 |
0.000 |
6 |
7 |
|
[7M3]A:800 |
22 |
1 |
552 |
f |
A |
x,y,z |
1_555 |
37 |
18 |
20259 |
271.5 |
-1.9 |
0.492 |
3 |
0 |
0 |
0.053 |
8 |
|
[7M3]B:800 |
22 |
1 |
552 |
f |
B |
x,y,z |
1_555 |
44 |
19 |
20326 |
269.6 |
-2.0 |
0.506 |
3 |
0 |
0 |
0.053 |
Average: |
270.5 |
-2.0 |
0.499 |
3 |
0 |
0 |
0.053 |
7 |
9 |
|
[H4B]B:600 |
17 |
1 |
395 |
f |
B |
x,y,z |
1_555 |
26 |
9 |
20326 |
172.6 |
2.5 |
0.523 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]A:600 |
17 |
1 |
397 |
f |
A |
x,y,z |
1_555 |
27 |
9 |
20259 |
170.9 |
2.5 |
0.514 |
2 |
0 |
0 |
0.000 |
Average: |
171.8 |
2.5 |
0.519 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
[7M3]A:800 |
19 |
1 |
552 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
33 |
1 |
833 |
149.1 |
-5.9 |
0.734 |
0 |
0 |
0 |
0.092 |
12 |
|
[7M3]B:800 |
19 |
1 |
552 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
32 |
1 |
837 |
145.1 |
-5.7 |
0.718 |
0 |
0 |
0 |
0.092 |
Average: |
147.1 |
-5.8 |
0.726 |
0 |
0 |
0 |
0.092 |
9 |
13 |
|
B |
11 |
4 |
20326 |
◊ |
A |
x-1,y,z |
1_455 |
15 |
4 |
20259 |
118.2 |
-1.0 |
0.321 |
0 |
0 |
0 |
0.000 |
10 |
14 |
|
[ACT]A:860 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
20259 |
112.1 |
-1.3 |
0.498 |
2 |
0 |
0 |
0.018 |
11 |
15 |
|
[ACT]B:860 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
20326 |
111.7 |
-1.4 |
0.494 |
2 |
0 |
0 |
0.018 |
12 |
16 |
|
[H4B]B:600 |
13 |
1 |
395 |
◊ |
A |
x,y,z |
1_555 |
24 |
6 |
20259 |
110.6 |
-0.2 |
0.280 |
1 |
0 |
0 |
0.010 |
17 |
|
[H4B]A:600 |
13 |
1 |
397 |
◊ |
B |
x,y,z |
1_555 |
19 |
6 |
20326 |
109.7 |
-0.1 |
0.254 |
1 |
0 |
0 |
0.010 |
Average: |
110.1 |
-0.2 |
0.267 |
1 |
0 |
0 |
0.010 |
13 |
18 |
|
[ACT]A:861 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
20259 |
84.9 |
1.5 |
0.869 |
3 |
0 |
0 |
0.000 |
19 |
|
[ACT]B:861 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
20326 |
83.5 |
1.4 |
0.861 |
3 |
0 |
0 |
0.000 |
Average: |
84.2 |
1.4 |
0.865 |
3 |
0 |
0 |
0.000 |
14 |
20 |
|
[GOL]A:880 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
20259 |
84.2 |
0.1 |
0.602 |
2 |
0 |
0 |
0.006 |
15 |
21 |
|
[GOL]B:880 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
20326 |
83.5 |
0.2 |
0.643 |
3 |
0 |
0 |
0.009 |
16 |
22 |
|
B |
12 |
2 |
20326 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
9 |
3 |
20259 |
77.9 |
-0.3 |
0.519 |
0 |
0 |
0 |
0.000 |
17 |
23 |
|
A |
10 |
5 |
20259 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
3 |
20326 |
71.7 |
-0.5 |
0.509 |
0 |
0 |
0 |
0.000 |
18 |
24 |
|
[GOL]A:880 |
5 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
14 |
3 |
20326 |
58.9 |
-0.0 |
0.585 |
0 |
0 |
0 |
0.000 |
19 |
25 |
|
[GOL]B:880 |
5 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
15 |
3 |
20259 |
58.9 |
-0.3 |
0.594 |
0 |
0 |
0 |
0.002 |
20 |
26 |
|
[ACT]A:861 |
3 |
1 |
183 |
f |
[7M3]A:800 |
x,y,z |
1_555 |
8 |
1 |
552 |
42.4 |
-0.1 |
0.698 |
0 |
0 |
0 |
0.003 |
27 |
|
[ACT]B:861 |
4 |
1 |
183 |
f |
[7M3]B:800 |
x,y,z |
1_555 |
8 |
1 |
552 |
41.7 |
-0.3 |
0.681 |
0 |
0 |
0 |
0.003 |
Average: |
42.0 |
-0.2 |
0.690 |
0 |
0 |
0 |
0.003 |
21 |
28 |
|
[GOL]A:880 |
5 |
1 |
219 |
f |
[H4B]A:600 |
x,y,z |
1_555 |
7 |
1 |
397 |
42.4 |
0.1 |
0.278 |
5 |
0 |
0 |
0.017 |
22 |
29 |
|
[H4B]A:600 |
5 |
1 |
397 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
5 |
1 |
833 |
41.0 |
-1.2 |
0.427 |
1 |
0 |
0 |
0.030 |
30 |
|
[H4B]B:600 |
4 |
1 |
395 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
5 |
1 |
837 |
40.5 |
-1.2 |
0.475 |
2 |
0 |
0 |
0.030 |
Average: |
40.7 |
-1.2 |
0.451 |
2 |
0 |
0 |
0.030 |
23 |
31 |
|
[GOL]B:880 |
4 |
1 |
220 |
f |
[H4B]B:600 |
x,y,z |
1_555 |
7 |
1 |
395 |
40.0 |
0.0 |
0.294 |
4 |
0 |
0 |
0.014 |
24 |
32 |
|
[ACT]B:860 |
3 |
1 |
182 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
5 |
1 |
837 |
36.0 |
-1.0 |
0.755 |
0 |
0 |
0 |
0.008 |
25 |
33 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20259 |
34.6 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.245 |
34 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20326 |
34.2 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.245 |
Average: |
34.4 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.245 |
26 |
35 |
|
[ACT]A:860 |
3 |
1 |
182 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
5 |
1 |
833 |
34.1 |
-0.9 |
0.812 |
0 |
0 |
0 |
0.007 |
27 |
36 |
|
[GOL]B:880 |
4 |
1 |
220 |
f |
[7M3]B:800 |
x,y,z |
1_555 |
2 |
1 |
552 |
31.3 |
-0.6 |
0.456 |
0 |
0 |
0 |
0.005 |
28 |
37 |
|
[GOL]A:880 |
3 |
1 |
219 |
f |
[7M3]A:800 |
x,y,z |
1_555 |
2 |
1 |
552 |
29.6 |
-0.6 |
0.388 |
0 |
0 |
0 |
0.005 |
29 |
38 |
|
[ACT]A:861 |
1 |
1 |
183 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
1 |
1 |
833 |
13.7 |
-0.9 |
0.358 |
0 |
0 |
0 |
0.015 |
39 |
|
[ACT]B:861 |
1 |
1 |
183 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
1 |
1 |
837 |
13.7 |
-0.9 |
0.358 |
0 |
0 |
0 |
0.015 |
Average: |
13.7 |
-0.9 |
0.358 |
0 |
0 |
0 |
0.015 |
30 |
40 |
|
[7M3]B:800 |
1 |
1 |
552 |
f |
[H4B]B:600 |
x,y,z |
1_555 |
1 |
1 |
395 |
12.8 |
-0.5 |
0.226 |
0 |
0 |
0 |
0.008 |
41 |
|
[7M3]A:800 |
2 |
1 |
552 |
f |
[H4B]A:600 |
x,y,z |
1_555 |
1 |
1 |
397 |
11.8 |
-0.5 |
0.263 |
0 |
0 |
0 |
0.008 |
Average: |
12.3 |
-0.5 |
0.244 |
0 |
0 |
0 |
0.008 |
31 |
42 |
|
A |
3 |
1 |
20259 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
20259 |
8.8 |
0.0 |
0.681 |
0 |
0 |
0 |
0.000 |
32 |
43 |
|
[7M3]B:800 |
1 |
1 |
552 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
20259 |
7.1 |
-0.2 |
0.478 |
0 |
0 |
0 |
0.002 |
44 |
|
[7M3]A:800 |
1 |
1 |
552 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
20326 |
0.1 |
-0.0 |
0.662 |
0 |
0 |
0 |
0.002 |
Average: |
3.6 |
-0.1 |
0.570 |
0 |
0 |
0 |
0.002 |
|