## |
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 |
267 |
69 |
20274 |
◊ |
A |
x,y,z |
1_555 |
261 |
68 |
19970 |
2592.3 |
-37.7 |
0.011 |
36 |
8 |
0 |
0.471 |
2 |
2 |
|
A |
65 |
19 |
19970 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
66 |
18 |
20274 |
651.8 |
-1.5 |
0.694 |
18 |
0 |
0 |
0.000 |
3 |
3 |
|
[HEM]A:750 |
43 |
1 |
808 |
f |
A |
x,y,z |
1_555 |
77 |
23 |
19970 |
523.2 |
-17.7 |
0.301 |
2 |
0 |
0 |
0.321 |
4 |
|
[HEM]B:750 |
43 |
1 |
807 |
f |
B |
x,y,z |
1_555 |
80 |
24 |
20274 |
520.4 |
-17.9 |
0.349 |
2 |
0 |
0 |
0.321 |
Average: |
521.8 |
-17.8 |
0.325 |
2 |
0 |
0 |
0.321 |
4 |
5 |
|
B |
51 |
15 |
20274 |
x |
B |
x-1,y,z |
1_455 |
55 |
15 |
20274 |
491.6 |
0.1 |
0.769 |
3 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
46 |
12 |
20274 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
37 |
11 |
19970 |
349.4 |
-2.2 |
0.544 |
4 |
5 |
0 |
0.000 |
6 |
7 |
|
[S8F]A:800 |
23 |
1 |
549 |
f |
A |
x,y,z |
1_555 |
40 |
16 |
19970 |
287.4 |
-2.5 |
0.159 |
0 |
0 |
0 |
0.045 |
8 |
|
[S8F]B:800 |
22 |
1 |
549 |
f |
B |
x,y,z |
1_555 |
43 |
16 |
20274 |
272.7 |
-2.8 |
0.161 |
0 |
0 |
0 |
0.045 |
Average: |
280.1 |
-2.6 |
0.160 |
0 |
0 |
0 |
0.045 |
7 |
9 |
|
A |
28 |
13 |
19970 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
27 |
9 |
20274 |
230.6 |
1.3 |
0.811 |
2 |
4 |
0 |
0.000 |
8 |
10 |
|
[H4B]B:760 |
17 |
1 |
396 |
f |
B |
x,y,z |
1_555 |
31 |
9 |
20274 |
197.6 |
1.9 |
0.482 |
2 |
0 |
0 |
0.000 |
11 |
|
[H4B]A:760 |
17 |
1 |
397 |
f |
A |
x,y,z |
1_555 |
31 |
9 |
19970 |
195.8 |
2.0 |
0.496 |
2 |
0 |
0 |
0.000 |
Average: |
196.7 |
2.0 |
0.489 |
2 |
0 |
0 |
0.000 |
9 |
12 |
|
[S8F]A:800 |
13 |
1 |
549 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
28 |
1 |
808 |
135.2 |
-5.4 |
0.320 |
0 |
0 |
0 |
0.092 |
13 |
|
[S8F]B:800 |
16 |
1 |
549 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
27 |
1 |
807 |
133.1 |
-5.4 |
0.273 |
0 |
0 |
0 |
0.092 |
Average: |
134.2 |
-5.4 |
0.297 |
0 |
0 |
0 |
0.092 |
10 |
14 |
|
[H4B]B:760 |
13 |
1 |
396 |
◊ |
A |
x,y,z |
1_555 |
21 |
6 |
19970 |
116.9 |
-0.2 |
0.274 |
1 |
0 |
0 |
0.011 |
15 |
|
[H4B]A:760 |
13 |
1 |
397 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
20274 |
116.6 |
-0.2 |
0.281 |
1 |
0 |
0 |
0.011 |
Average: |
116.7 |
-0.2 |
0.277 |
1 |
0 |
0 |
0.011 |
11 |
16 |
|
[ACT]B:860 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
20274 |
116.4 |
-1.5 |
0.500 |
1 |
0 |
0 |
0.016 |
12 |
17 |
|
[ACT]A:860 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
19970 |
114.0 |
-1.5 |
0.459 |
1 |
0 |
0 |
0.017 |
13 |
18 |
|
[H4B]A:760 |
4 |
1 |
397 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
808 |
41.1 |
-1.1 |
0.479 |
2 |
0 |
0 |
0.035 |
19 |
|
[H4B]B:760 |
4 |
1 |
396 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
807 |
39.6 |
-1.2 |
0.468 |
2 |
0 |
0 |
0.035 |
Average: |
40.3 |
-1.1 |
0.473 |
2 |
0 |
0 |
0.035 |
14 |
20 |
|
[ACT]A:860 |
1 |
1 |
183 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
808 |
39.8 |
-1.3 |
0.489 |
0 |
0 |
0 |
0.011 |
15 |
21 |
|
[ACT]B:860 |
1 |
1 |
182 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
807 |
36.0 |
-1.2 |
0.486 |
0 |
0 |
0 |
0.010 |
16 |
22 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20274 |
34.8 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.259 |
23 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
19970 |
34.7 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.259 |
Average: |
34.7 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.259 |
17 |
24 |
|
[S8F]B:800 |
4 |
1 |
549 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
19970 |
34.1 |
0.4 |
0.319 |
0 |
0 |
0 |
0.000 |
25 |
|
[S8F]A:800 |
5 |
1 |
549 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
20274 |
34.0 |
0.4 |
0.298 |
0 |
0 |
0 |
0.000 |
Average: |
34.1 |
0.4 |
0.308 |
0 |
0 |
0 |
0.000 |
18 |
26 |
|
[S8F]B:800 |
4 |
1 |
549 |
f |
[H4B]B:760 |
x,y,z |
1_555 |
3 |
1 |
396 |
19.7 |
0.3 |
0.299 |
0 |
0 |
0 |
0.000 |
27 |
|
[S8F]A:800 |
2 |
1 |
549 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
2 |
1 |
397 |
15.9 |
0.2 |
0.351 |
0 |
0 |
0 |
0.000 |
Average: |
17.8 |
0.3 |
0.325 |
0 |
0 |
0 |
0.000 |
19 |
28 |
|
A |
2 |
1 |
19970 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
19970 |
8.9 |
-0.1 |
0.517 |
0 |
0 |
0 |
0.000 |
20 |
29 |
|
A |
2 |
1 |
19970 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
20274 |
5.4 |
0.1 |
0.683 |
0 |
0 |
0 |
0.000 |
21 |
30 |
|
A |
1 |
1 |
19970 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
19970 |
1.0 |
0.0 |
0.629 |
0 |
0 |
0 |
0.000 |
|