## |
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 |
301 |
72 |
20210 |
◊ |
A |
x,y,z |
1_555 |
288 |
76 |
20003 |
2758.2 |
-36.0 |
0.026 |
33 |
11 |
0 |
0.449 |
2 |
2 |
|
A |
93 |
28 |
20003 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
94 |
26 |
20210 |
741.9 |
-2.5 |
0.695 |
7 |
8 |
0 |
0.000 |
3 |
3 |
|
[HEM]A:500 |
43 |
1 |
803 |
f |
A |
x,y,z |
1_555 |
80 |
25 |
20003 |
524.9 |
-18.3 |
0.282 |
2 |
0 |
0 |
0.333 |
4 |
|
[HEM]B:500 |
43 |
1 |
802 |
f |
B |
x,y,z |
1_555 |
81 |
25 |
20210 |
521.7 |
-18.8 |
0.312 |
2 |
0 |
0 |
0.333 |
Average: |
523.3 |
-18.5 |
0.297 |
2 |
0 |
0 |
0.333 |
4 |
5 |
|
A |
54 |
18 |
20003 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
49 |
14 |
20003 |
425.0 |
-4.8 |
0.341 |
1 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
30 |
10 |
20210 |
x |
B |
x-1,y,z |
1_455 |
27 |
7 |
20210 |
277.5 |
-4.3 |
0.200 |
1 |
1 |
0 |
0.000 |
6 |
7 |
|
[E2Z]A:800 |
22 |
1 |
560 |
f |
A |
x,y,z |
1_555 |
38 |
16 |
20003 |
267.6 |
-3.1 |
0.211 |
0 |
0 |
0 |
0.053 |
8 |
|
[E2Z]B:800 |
22 |
1 |
560 |
f |
B |
x,y,z |
1_555 |
40 |
17 |
20210 |
258.4 |
-3.1 |
0.241 |
0 |
0 |
0 |
0.053 |
Average: |
263.0 |
-3.1 |
0.226 |
0 |
0 |
0 |
0.053 |
7 |
9 |
|
[H4B]B:600 |
17 |
1 |
394 |
f |
B |
x,y,z |
1_555 |
28 |
10 |
20210 |
178.6 |
2.5 |
0.504 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]A:600 |
17 |
1 |
399 |
f |
A |
x,y,z |
1_555 |
28 |
10 |
20003 |
177.3 |
2.6 |
0.505 |
2 |
0 |
0 |
0.000 |
Average: |
177.9 |
2.6 |
0.505 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
[E2Z]A:800 |
11 |
1 |
560 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
28 |
1 |
803 |
134.0 |
-5.0 |
0.457 |
2 |
0 |
0 |
0.098 |
12 |
|
[E2Z]B:800 |
11 |
1 |
560 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
29 |
1 |
802 |
127.3 |
-4.7 |
0.469 |
2 |
0 |
0 |
0.098 |
Average: |
130.6 |
-4.8 |
0.463 |
2 |
0 |
0 |
0.098 |
9 |
13 |
|
[ACT]A:860 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
20003 |
113.9 |
-1.4 |
0.510 |
2 |
0 |
0 |
0.020 |
10 |
14 |
|
[H4B]B:600 |
13 |
1 |
394 |
◊ |
A |
x,y,z |
1_555 |
25 |
6 |
20003 |
109.2 |
0.4 |
0.330 |
1 |
0 |
0 |
0.006 |
15 |
|
[H4B]A:600 |
13 |
1 |
399 |
◊ |
B |
x,y,z |
1_555 |
23 |
6 |
20210 |
107.8 |
-0.2 |
0.256 |
1 |
0 |
0 |
0.006 |
Average: |
108.5 |
0.1 |
0.293 |
1 |
0 |
0 |
0.006 |
11 |
16 |
|
[ACT]B:861 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
20210 |
89.2 |
0.5 |
0.822 |
4 |
0 |
0 |
0.011 |
12 |
17 |
|
[GOL]B:880 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
20210 |
84.5 |
0.3 |
0.663 |
2 |
0 |
0 |
0.005 |
13 |
18 |
|
[GOL]A:880 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
20003 |
83.7 |
0.3 |
0.642 |
2 |
0 |
0 |
0.005 |
14 |
19 |
|
A |
8 |
5 |
20003 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
9 |
3 |
20210 |
72.5 |
-0.6 |
0.503 |
0 |
0 |
0 |
0.000 |
15 |
20 |
|
[GOL]A:880 |
6 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
15 |
3 |
20210 |
54.0 |
0.2 |
0.654 |
0 |
0 |
0 |
0.000 |
16 |
21 |
|
[GOL]B:880 |
6 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
14 |
3 |
20003 |
52.4 |
0.1 |
0.641 |
0 |
0 |
0 |
0.000 |
17 |
22 |
|
B |
9 |
4 |
20210 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
5 |
2 |
20003 |
43.7 |
-0.6 |
0.406 |
0 |
0 |
0 |
0.000 |
18 |
23 |
|
[GOL]A:880 |
5 |
1 |
220 |
f |
[H4B]A:600 |
x,y,z |
1_555 |
7 |
1 |
399 |
42.1 |
0.2 |
0.289 |
3 |
0 |
0 |
0.010 |
19 |
24 |
|
[H4B]A:600 |
5 |
1 |
399 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
6 |
1 |
803 |
41.2 |
-1.0 |
0.475 |
1 |
0 |
0 |
0.025 |
25 |
|
[H4B]B:600 |
5 |
1 |
394 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
5 |
1 |
802 |
40.0 |
-1.0 |
0.438 |
1 |
0 |
0 |
0.025 |
Average: |
40.6 |
-1.0 |
0.457 |
1 |
0 |
0 |
0.025 |
20 |
26 |
|
[GOL]B:880 |
4 |
1 |
220 |
f |
[H4B]B:600 |
x,y,z |
1_555 |
7 |
1 |
394 |
41.1 |
0.3 |
0.304 |
4 |
0 |
0 |
0.013 |
21 |
27 |
|
[ACT]B:861 |
4 |
1 |
184 |
f |
[E2Z]B:800 |
x,y,z |
1_555 |
5 |
1 |
560 |
40.1 |
-1.1 |
0.404 |
0 |
0 |
0 |
0.009 |
22 |
28 |
|
[E2Z]A:800 |
5 |
1 |
560 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
20210 |
35.6 |
0.5 |
0.363 |
0 |
0 |
0 |
0.000 |
29 |
|
[E2Z]B:800 |
5 |
1 |
560 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
20003 |
35.5 |
0.4 |
0.349 |
0 |
0 |
0 |
0.000 |
Average: |
35.5 |
0.4 |
0.356 |
0 |
0 |
0 |
0.000 |
23 |
30 |
|
[GOL]A:880 |
3 |
1 |
220 |
f |
[E2Z]A:800 |
x,y,z |
1_555 |
8 |
1 |
560 |
35.2 |
0.7 |
0.446 |
0 |
0 |
0 |
0.000 |
24 |
31 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20210 |
34.6 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.258 |
32 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20003 |
34.5 |
-20.0 |
0.000 |
0 |
0 |
0 |
0.258 |
Average: |
34.5 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.258 |
25 |
33 |
|
[GOL]B:880 |
3 |
1 |
220 |
f |
[E2Z]B:800 |
x,y,z |
1_555 |
8 |
1 |
560 |
34.2 |
0.5 |
0.445 |
0 |
0 |
0 |
0.000 |
26 |
34 |
|
[ACT]A:860 |
3 |
1 |
183 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
5 |
1 |
803 |
30.8 |
-0.8 |
0.816 |
0 |
0 |
0 |
0.007 |
27 |
35 |
|
A |
3 |
1 |
20003 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
6 |
3 |
20003 |
26.1 |
0.3 |
0.718 |
0 |
0 |
0 |
0.000 |
28 |
36 |
|
B |
6 |
4 |
20210 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
2 |
20003 |
22.0 |
0.8 |
0.848 |
0 |
0 |
0 |
0.000 |
29 |
37 |
|
[ACT]B:861 |
1 |
1 |
184 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
4 |
1 |
802 |
20.0 |
-1.0 |
0.624 |
0 |
0 |
0 |
0.009 |
30 |
38 |
|
[E2Z]A:800 |
2 |
1 |
560 |
f |
[H4B]A:600 |
x,y,z |
1_555 |
2 |
1 |
399 |
11.6 |
0.1 |
0.357 |
0 |
0 |
0 |
0.000 |
39 |
|
[E2Z]B:800 |
1 |
1 |
560 |
f |
[H4B]B:600 |
x,y,z |
1_555 |
1 |
1 |
394 |
7.2 |
0.1 |
0.286 |
0 |
0 |
0 |
0.000 |
Average: |
9.4 |
0.1 |
0.322 |
0 |
0 |
0 |
0.000 |
|