## |
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 |
292 |
73 |
20148 |
◊ |
A |
x,y,z |
1_555 |
285 |
73 |
20048 |
2766.1 |
-37.3 |
0.019 |
30 |
8 |
0 |
0.399 |
2 |
2 |
|
A |
98 |
30 |
20048 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
95 |
29 |
20148 |
758.9 |
-3.2 |
0.670 |
7 |
8 |
0 |
0.000 |
3 |
3 |
|
[HEM]A:500 |
43 |
1 |
831 |
f |
A |
x,y,z |
1_555 |
79 |
25 |
20048 |
518.8 |
-17.8 |
0.347 |
1 |
0 |
0 |
0.284 |
4 |
|
[HEM]B:500 |
43 |
1 |
822 |
f |
B |
x,y,z |
1_555 |
81 |
25 |
20148 |
510.5 |
-17.7 |
0.320 |
2 |
0 |
0 |
0.284 |
Average: |
514.6 |
-17.8 |
0.334 |
2 |
0 |
0 |
0.284 |
4 |
5 |
|
[PQW]A:800 |
35 |
1 |
808 |
f |
A |
x,y,z |
1_555 |
67 |
27 |
20048 |
487.8 |
-4.8 |
0.522 |
3 |
0 |
0 |
0.047 |
5 |
6 |
|
A |
55 |
18 |
20048 |
x |
A |
-x,y-1/2,-z+1/2 |
4_545 |
50 |
14 |
20048 |
449.6 |
-3.9 |
0.447 |
1 |
1 |
0 |
0.000 |
6 |
7 |
|
[PQW]B:800 |
35 |
1 |
812 |
f |
B |
x,y,z |
1_555 |
53 |
21 |
20148 |
406.4 |
-5.4 |
0.421 |
2 |
0 |
0 |
0.049 |
7 |
8 |
|
B |
35 |
12 |
20148 |
x |
B |
x-1,y,z |
1_455 |
31 |
9 |
20148 |
305.7 |
-3.8 |
0.307 |
2 |
1 |
0 |
0.000 |
8 |
9 |
|
[H4B]B:600 |
17 |
1 |
397 |
f |
B |
x,y,z |
1_555 |
26 |
9 |
20148 |
177.3 |
2.4 |
0.483 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]A:600 |
17 |
1 |
400 |
f |
A |
x,y,z |
1_555 |
24 |
8 |
20048 |
176.6 |
2.6 |
0.523 |
2 |
0 |
0 |
0.000 |
Average: |
176.9 |
2.5 |
0.503 |
2 |
0 |
0 |
0.000 |
9 |
11 |
|
[PQW]A:800 |
18 |
1 |
808 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
31 |
1 |
831 |
166.0 |
-5.9 |
0.690 |
0 |
0 |
0 |
0.046 |
10 |
12 |
|
[PQW]B:800 |
18 |
1 |
812 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
32 |
1 |
822 |
165.8 |
-6.6 |
0.661 |
1 |
0 |
0 |
0.054 |
11 |
13 |
|
[H4B]B:600 |
13 |
1 |
397 |
◊ |
A |
x,y,z |
1_555 |
23 |
6 |
20048 |
114.3 |
-0.1 |
0.278 |
1 |
0 |
0 |
0.008 |
14 |
|
[H4B]A:600 |
13 |
1 |
400 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
20148 |
114.2 |
-0.1 |
0.282 |
1 |
0 |
0 |
0.008 |
Average: |
114.2 |
-0.1 |
0.280 |
1 |
0 |
0 |
0.008 |
12 |
15 |
|
[ACT]B:860 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
20148 |
112.8 |
-1.3 |
0.493 |
2 |
0 |
0 |
0.017 |
13 |
16 |
|
[ACT]A:860 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
20048 |
111.5 |
-1.3 |
0.516 |
2 |
0 |
0 |
0.017 |
14 |
17 |
|
[GOL]A:880 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
20048 |
91.1 |
0.4 |
0.641 |
3 |
0 |
0 |
0.016 |
18 |
|
[GOL]B:880 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
20148 |
86.5 |
0.3 |
0.615 |
3 |
0 |
0 |
0.016 |
Average: |
88.8 |
0.3 |
0.628 |
3 |
0 |
0 |
0.016 |
15 |
19 |
|
[ACT]B:861 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
20148 |
88.1 |
1.5 |
0.865 |
4 |
0 |
0 |
0.002 |
16 |
20 |
|
[ACT]A:861 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
20048 |
85.1 |
1.5 |
0.868 |
4 |
0 |
0 |
0.002 |
17 |
21 |
|
B |
12 |
4 |
20148 |
◊ |
A |
-x,y-1/2,-z+1/2 |
4_545 |
12 |
5 |
20048 |
84.8 |
-0.8 |
0.508 |
0 |
0 |
0 |
0.000 |
18 |
22 |
|
[GOL]A:880 |
6 |
1 |
221 |
◊ |
B |
x,y,z |
1_555 |
15 |
3 |
20148 |
61.3 |
0.2 |
0.651 |
0 |
0 |
0 |
0.000 |
23 |
|
[GOL]B:880 |
6 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
14 |
3 |
20048 |
56.0 |
0.1 |
0.660 |
0 |
0 |
0 |
0.000 |
Average: |
58.6 |
0.1 |
0.656 |
0 |
0 |
0 |
0.000 |
19 |
24 |
|
A |
8 |
4 |
20048 |
◊ |
B |
-x,y-1/2,-z+1/2 |
4_545 |
6 |
2 |
20148 |
52.6 |
-0.7 |
0.433 |
0 |
0 |
0 |
0.000 |
20 |
25 |
|
[GOL]A:880 |
4 |
1 |
221 |
f |
[H4B]A:600 |
x,y,z |
1_555 |
7 |
1 |
400 |
45.5 |
0.2 |
0.295 |
3 |
0 |
0 |
0.021 |
26 |
|
[GOL]B:880 |
4 |
1 |
219 |
f |
[H4B]B:600 |
x,y,z |
1_555 |
7 |
1 |
397 |
38.8 |
0.2 |
0.281 |
4 |
0 |
0 |
0.021 |
Average: |
42.2 |
0.2 |
0.288 |
4 |
0 |
0 |
0.021 |
21 |
27 |
|
B |
6 |
3 |
20148 |
◊ |
A |
x-1,y,z |
1_455 |
4 |
2 |
20048 |
41.2 |
1.4 |
0.896 |
0 |
0 |
0 |
0.000 |
22 |
28 |
|
[PQW]B:800 |
5 |
1 |
812 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
20048 |
40.5 |
-0.4 |
0.328 |
0 |
0 |
0 |
0.003 |
23 |
29 |
|
[H4B]A:600 |
4 |
1 |
400 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
5 |
1 |
831 |
40.3 |
-1.3 |
0.445 |
1 |
0 |
0 |
0.029 |
30 |
|
[H4B]B:600 |
4 |
1 |
397 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
5 |
1 |
822 |
38.8 |
-1.1 |
0.456 |
2 |
0 |
0 |
0.029 |
Average: |
39.6 |
-1.2 |
0.450 |
2 |
0 |
0 |
0.029 |
24 |
31 |
|
[ZN]A:1483 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20048 |
35.7 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.238 |
32 |
|
[ZN]A:1483 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20148 |
35.0 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.238 |
Average: |
35.4 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.238 |
25 |
33 |
|
[ACT]B:860 |
3 |
1 |
183 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
5 |
1 |
822 |
35.7 |
-1.0 |
0.750 |
0 |
0 |
0 |
0.007 |
26 |
34 |
|
[ACT]A:860 |
3 |
1 |
183 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
5 |
1 |
831 |
33.9 |
-1.0 |
0.754 |
0 |
0 |
0 |
0.008 |
27 |
35 |
|
[ACT]B:861 |
1 |
1 |
184 |
f |
[PQW]B:800 |
x,y,z |
1_555 |
5 |
1 |
812 |
26.9 |
-0.4 |
0.565 |
0 |
0 |
0 |
0.003 |
28 |
36 |
|
[ACT]A:861 |
1 |
1 |
183 |
f |
[PQW]A:800 |
x,y,z |
1_555 |
5 |
1 |
808 |
24.9 |
-0.5 |
0.556 |
0 |
0 |
0 |
0.004 |
29 |
37 |
|
[GOL]B:880 |
2 |
1 |
219 |
f |
[PQW]B:800 |
x,y,z |
1_555 |
3 |
1 |
812 |
22.1 |
0.1 |
0.519 |
0 |
0 |
0 |
0.000 |
30 |
38 |
|
[ACT]B:861 |
1 |
1 |
184 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
1 |
1 |
822 |
12.9 |
-0.9 |
0.358 |
0 |
0 |
0 |
0.007 |
31 |
39 |
|
[ACT]A:861 |
1 |
1 |
183 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
1 |
1 |
831 |
11.9 |
-0.8 |
0.358 |
0 |
0 |
0 |
0.006 |
32 |
40 |
|
A |
1 |
1 |
20048 |
x |
A |
-x+1,y-1/2,-z+1/2 |
4_645 |
2 |
2 |
20048 |
9.2 |
0.2 |
0.802 |
0 |
0 |
0 |
0.000 |
33 |
41 |
|
[PQW]B:800 |
1 |
1 |
812 |
f |
[H4B]B:600 |
x,y,z |
1_555 |
1 |
1 |
397 |
4.1 |
0.1 |
0.297 |
0 |
0 |
0 |
0.000 |
34 |
42 |
|
[GOL]A:880 |
1 |
1 |
221 |
f |
[PQW]A:800 |
x,y,z |
1_555 |
2 |
1 |
808 |
3.3 |
0.0 |
0.568 |
0 |
0 |
0 |
0.000 |
35 |
43 |
|
[GOL]B:880 |
1 |
1 |
219 |
f |
[ACT]B:861 |
x,y,z |
1_555 |
1 |
1 |
184 |
1.1 |
-0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
36 |
44 |
|
[GOL]A:880 |
1 |
1 |
221 |
f |
[ACT]A:861 |
x,y,z |
1_555 |
1 |
1 |
183 |
0.2 |
-0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
|