## |
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 |
270 |
70 |
20187 |
◊ |
A |
x,y,z |
1_555 |
258 |
68 |
20176 |
2573.7 |
-37.3 |
0.006 |
41 |
9 |
0 |
0.453 |
2 |
2 |
|
A |
69 |
19 |
20176 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
69 |
19 |
20187 |
654.8 |
-0.9 |
0.695 |
14 |
0 |
0 |
0.000 |
3 |
3 |
|
[HEM]B:750 |
43 |
1 |
823 |
f |
B |
x,y,z |
1_555 |
77 |
24 |
20187 |
526.7 |
-18.8 |
0.248 |
3 |
0 |
0 |
0.318 |
4 |
|
[HEM]A:750 |
43 |
1 |
819 |
f |
A |
x,y,z |
1_555 |
76 |
23 |
20176 |
523.1 |
-18.5 |
0.251 |
3 |
0 |
0 |
0.318 |
Average: |
524.9 |
-18.7 |
0.250 |
3 |
0 |
0 |
0.318 |
4 |
5 |
|
B |
47 |
15 |
20187 |
x |
B |
x-1,y,z |
1_455 |
46 |
15 |
20187 |
399.2 |
-0.3 |
0.635 |
3 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
36 |
11 |
20187 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
33 |
9 |
20176 |
307.6 |
-2.7 |
0.412 |
1 |
1 |
0 |
0.000 |
6 |
7 |
|
[DP1]A:790 |
21 |
1 |
558 |
f |
A |
x,y,z |
1_555 |
48 |
20 |
20176 |
301.5 |
2.3 |
0.531 |
7 |
0 |
0 |
0.018 |
8 |
|
[DP1]B:791 |
21 |
1 |
557 |
f |
B |
x,y,z |
1_555 |
45 |
20 |
20187 |
301.4 |
2.4 |
0.507 |
9 |
0 |
0 |
0.018 |
Average: |
301.5 |
2.4 |
0.519 |
8 |
0 |
0 |
0.018 |
7 |
9 |
|
[H4B]B:761 |
17 |
1 |
399 |
f |
B |
x,y,z |
1_555 |
25 |
8 |
20187 |
177.0 |
2.1 |
0.477 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]A:760 |
17 |
1 |
402 |
f |
A |
x,y,z |
1_555 |
26 |
9 |
20176 |
176.5 |
2.2 |
0.463 |
2 |
0 |
0 |
0.000 |
Average: |
176.8 |
2.2 |
0.470 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
A |
23 |
11 |
20176 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
21 |
8 |
20187 |
174.1 |
1.5 |
0.784 |
2 |
2 |
0 |
0.000 |
9 |
12 |
|
[MTL]B:871 |
12 |
1 |
329 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
20187 |
172.1 |
2.2 |
0.464 |
10 |
0 |
0 |
0.042 |
13 |
|
[MTL]A:870 |
12 |
1 |
327 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
20176 |
166.9 |
1.9 |
0.466 |
11 |
0 |
0 |
0.042 |
Average: |
169.5 |
2.0 |
0.465 |
11 |
0 |
0 |
0.042 |
10 |
14 |
|
[DP1]A:790 |
17 |
1 |
558 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
31 |
1 |
819 |
137.2 |
-3.2 |
0.467 |
0 |
0 |
0 |
0.056 |
15 |
|
[DP1]B:791 |
16 |
1 |
557 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
33 |
1 |
823 |
136.4 |
-3.4 |
0.427 |
1 |
0 |
0 |
0.056 |
Average: |
136.8 |
-3.3 |
0.447 |
1 |
0 |
0 |
0.056 |
11 |
16 |
|
[ACT]B:861 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
20187 |
113.6 |
-1.3 |
0.489 |
1 |
0 |
0 |
0.014 |
12 |
17 |
|
[H4B]B:761 |
13 |
1 |
399 |
◊ |
A |
x,y,z |
1_555 |
20 |
6 |
20176 |
113.5 |
-0.1 |
0.255 |
1 |
0 |
0 |
0.009 |
18 |
|
[H4B]A:760 |
13 |
1 |
402 |
◊ |
B |
x,y,z |
1_555 |
21 |
6 |
20187 |
112.6 |
-0.1 |
0.255 |
1 |
0 |
0 |
0.009 |
Average: |
113.1 |
-0.1 |
0.255 |
1 |
0 |
0 |
0.009 |
13 |
19 |
|
[ACT]A:860 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
20176 |
111.0 |
-1.2 |
0.508 |
2 |
0 |
0 |
0.017 |
14 |
20 |
|
[GOL]A:880 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
20176 |
74.8 |
-0.2 |
0.530 |
1 |
0 |
0 |
0.009 |
21 |
|
[GOL]B:881 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
20187 |
74.7 |
-0.1 |
0.575 |
1 |
0 |
0 |
0.009 |
Average: |
74.8 |
-0.1 |
0.553 |
1 |
0 |
0 |
0.009 |
15 |
22 |
|
[GOL]A:880 |
5 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
13 |
3 |
20187 |
53.6 |
-0.7 |
0.457 |
0 |
0 |
0 |
0.011 |
23 |
|
[GOL]B:881 |
5 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
13 |
3 |
20176 |
51.4 |
-0.7 |
0.475 |
0 |
0 |
0 |
0.011 |
Average: |
52.5 |
-0.7 |
0.466 |
0 |
0 |
0 |
0.011 |
16 |
24 |
|
[GOL]B:881 |
5 |
1 |
217 |
f |
[H4B]B:761 |
x,y,z |
1_555 |
7 |
1 |
399 |
46.4 |
-0.1 |
0.277 |
4 |
0 |
0 |
0.025 |
25 |
|
[GOL]A:880 |
5 |
1 |
217 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
7 |
1 |
402 |
45.6 |
-0.0 |
0.268 |
3 |
0 |
0 |
0.025 |
Average: |
46.0 |
-0.0 |
0.273 |
4 |
0 |
0 |
0.025 |
17 |
26 |
|
[H4B]A:760 |
4 |
1 |
402 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
819 |
40.2 |
-1.3 |
0.445 |
2 |
0 |
0 |
0.034 |
27 |
|
[H4B]B:761 |
3 |
1 |
399 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
823 |
39.7 |
-1.2 |
0.453 |
2 |
0 |
0 |
0.034 |
Average: |
40.0 |
-1.3 |
0.449 |
2 |
0 |
0 |
0.034 |
18 |
28 |
|
[DP1]B:791 |
6 |
1 |
557 |
f |
[MTL]B:871 |
x,y,z |
1_555 |
3 |
1 |
329 |
39.1 |
1.0 |
0.354 |
2 |
0 |
0 |
0.000 |
19 |
29 |
|
[DP1]A:790 |
7 |
1 |
558 |
f |
[MTL]A:870 |
x,y,z |
1_555 |
3 |
1 |
327 |
37.8 |
0.8 |
0.282 |
2 |
0 |
0 |
0.001 |
20 |
30 |
|
[HEM]B:750 |
5 |
1 |
823 |
f |
[ACT]B:861 |
x,y,z |
1_555 |
3 |
1 |
183 |
35.3 |
-1.0 |
0.810 |
0 |
0 |
0 |
0.008 |
21 |
31 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20187 |
34.9 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.244 |
32 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20176 |
34.5 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.244 |
Average: |
34.7 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.244 |
22 |
33 |
|
[HEM]A:750 |
5 |
1 |
819 |
f |
[ACT]A:860 |
x,y,z |
1_555 |
3 |
1 |
183 |
34.7 |
-1.0 |
0.751 |
0 |
0 |
0 |
0.008 |
23 |
34 |
|
[GOL]A:880 |
3 |
1 |
217 |
f |
[DP1]A:790 |
x,y,z |
1_555 |
2 |
1 |
558 |
29.9 |
0.5 |
0.600 |
1 |
0 |
0 |
0.000 |
35 |
|
[GOL]B:881 |
3 |
1 |
217 |
f |
[DP1]B:791 |
x,y,z |
1_555 |
2 |
1 |
557 |
28.6 |
0.6 |
0.623 |
0 |
0 |
0 |
0.000 |
Average: |
29.2 |
0.5 |
0.611 |
1 |
0 |
0 |
0.000 |
24 |
36 |
|
B |
2 |
1 |
20187 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
2 |
20187 |
19.3 |
0.9 |
0.888 |
0 |
0 |
0 |
0.000 |
25 |
37 |
|
A |
2 |
1 |
20176 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
20176 |
7.3 |
-0.2 |
0.339 |
0 |
0 |
0 |
0.000 |
26 |
38 |
|
[DP1]A:790 |
2 |
1 |
558 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
1 |
1 |
402 |
6.9 |
0.0 |
0.241 |
0 |
0 |
0 |
0.000 |
39 |
|
[DP1]B:791 |
2 |
1 |
557 |
f |
[H4B]B:761 |
x,y,z |
1_555 |
1 |
1 |
399 |
4.5 |
0.0 |
0.238 |
0 |
0 |
0 |
0.000 |
Average: |
5.7 |
0.0 |
0.240 |
0 |
0 |
0 |
0.000 |
27 |
40 |
|
[DP1]A:790 |
1 |
1 |
558 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
20187 |
2.5 |
-0.0 |
0.523 |
0 |
0 |
0 |
0.000 |
28 |
41 |
|
[GOL]A:880 |
1 |
1 |
217 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
2 |
1 |
819 |
2.1 |
-0.1 |
0.689 |
0 |
0 |
0 |
0.001 |
42 |
|
[GOL]B:881 |
1 |
1 |
217 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
2 |
1 |
823 |
2.1 |
-0.1 |
0.691 |
0 |
0 |
0 |
0.001 |
Average: |
2.1 |
-0.1 |
0.690 |
0 |
0 |
0 |
0.001 |
29 |
43 |
|
[MTL]B:871 |
1 |
1 |
329 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
20176 |
0.2 |
0.0 |
0.326 |
0 |
0 |
0 |
0.000 |
|