## |
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 |
72 |
20219 |
◊ |
A |
x,y,z |
1_555 |
267 |
69 |
20241 |
2597.4 |
-36.4 |
0.012 |
42 |
6 |
0 |
0.403 |
2 |
2 |
|
A |
70 |
20 |
20241 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
70 |
19 |
20219 |
663.9 |
-0.7 |
0.722 |
12 |
0 |
0 |
0.000 |
3 |
3 |
|
[HEM]B:801 |
43 |
1 |
821 |
f |
B |
x,y,z |
1_555 |
78 |
24 |
20219 |
518.7 |
-17.9 |
0.309 |
2 |
0 |
0 |
0.267 |
4 |
|
[HEM]A:801 |
41 |
1 |
817 |
f |
A |
x,y,z |
1_555 |
78 |
24 |
20241 |
515.7 |
-17.7 |
0.313 |
1 |
0 |
0 |
0.267 |
Average: |
517.2 |
-17.8 |
0.311 |
2 |
0 |
0 |
0.267 |
4 |
5 |
|
B |
48 |
15 |
20219 |
x |
B |
x-1,y,z |
1_455 |
48 |
15 |
20219 |
459.9 |
0.3 |
0.731 |
4 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
48 |
14 |
20219 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
38 |
12 |
20241 |
365.5 |
-1.5 |
0.589 |
4 |
5 |
0 |
0.000 |
6 |
7 |
|
[9PM]A:803 |
24 |
1 |
573 |
f |
A |
x,y,z |
1_555 |
35 |
15 |
20241 |
280.8 |
-9.0 |
0.271 |
3 |
0 |
0 |
0.142 |
8 |
|
[9PM]B:803 |
24 |
1 |
579 |
f |
B |
x,y,z |
1_555 |
34 |
15 |
20219 |
269.7 |
-8.0 |
0.295 |
3 |
0 |
0 |
0.142 |
Average: |
275.2 |
-8.5 |
0.283 |
3 |
0 |
0 |
0.142 |
7 |
9 |
|
A |
31 |
12 |
20241 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
32 |
9 |
20219 |
265.6 |
1.6 |
0.787 |
3 |
4 |
0 |
0.000 |
8 |
10 |
|
[H4B]B:802 |
17 |
1 |
398 |
f |
B |
x,y,z |
1_555 |
29 |
9 |
20219 |
196.0 |
2.1 |
0.459 |
2 |
0 |
0 |
0.000 |
11 |
|
[H4B]A:802 |
17 |
1 |
398 |
f |
A |
x,y,z |
1_555 |
29 |
9 |
20241 |
188.2 |
1.6 |
0.425 |
2 |
0 |
0 |
0.000 |
Average: |
192.1 |
1.9 |
0.442 |
2 |
0 |
0 |
0.000 |
9 |
12 |
|
[9PM]B:803 |
17 |
1 |
579 |
f |
[HEM]B:801 |
x,y,z |
1_555 |
32 |
1 |
821 |
157.8 |
-5.9 |
0.889 |
1 |
0 |
0 |
0.091 |
13 |
|
[9PM]A:803 |
17 |
1 |
573 |
f |
[HEM]A:801 |
x,y,z |
1_555 |
33 |
1 |
817 |
154.0 |
-5.8 |
0.902 |
1 |
0 |
0 |
0.091 |
Average: |
155.9 |
-5.9 |
0.895 |
1 |
0 |
0 |
0.091 |
10 |
14 |
|
[H4B]B:802 |
15 |
1 |
398 |
◊ |
A |
x,y,z |
1_555 |
23 |
6 |
20241 |
117.5 |
-0.1 |
0.239 |
1 |
0 |
0 |
0.008 |
15 |
|
[H4B]A:802 |
14 |
1 |
398 |
◊ |
B |
x,y,z |
1_555 |
21 |
6 |
20219 |
117.0 |
-0.1 |
0.265 |
1 |
0 |
0 |
0.008 |
Average: |
117.2 |
-0.1 |
0.252 |
1 |
0 |
0 |
0.008 |
11 |
16 |
|
[ACT]B:804 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
20219 |
112.1 |
-1.4 |
0.469 |
1 |
0 |
0 |
0.013 |
12 |
17 |
|
[ACT]A:804 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
20241 |
109.5 |
-1.3 |
0.486 |
1 |
0 |
0 |
0.012 |
13 |
18 |
|
[9PM]B:803 |
3 |
1 |
579 |
◊ |
A |
x,y,z |
1_555 |
7 |
1 |
20241 |
45.0 |
-2.5 |
0.172 |
0 |
0 |
0 |
0.027 |
19 |
|
[9PM]A:803 |
3 |
1 |
573 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
20219 |
40.7 |
-1.2 |
0.297 |
0 |
0 |
0 |
0.027 |
Average: |
42.8 |
-1.9 |
0.234 |
0 |
0 |
0 |
0.027 |
14 |
20 |
|
A |
5 |
3 |
20241 |
◊ |
B |
x-1,y,z |
1_455 |
5 |
1 |
20219 |
42.4 |
0.5 |
0.761 |
0 |
0 |
0 |
0.000 |
15 |
21 |
|
[H4B]B:802 |
5 |
1 |
398 |
f |
[HEM]B:801 |
x,y,z |
1_555 |
5 |
1 |
821 |
41.2 |
-1.1 |
0.441 |
2 |
0 |
0 |
0.028 |
22 |
|
[H4B]A:802 |
4 |
1 |
398 |
f |
[HEM]A:801 |
x,y,z |
1_555 |
6 |
1 |
817 |
40.3 |
-1.0 |
0.527 |
2 |
0 |
0 |
0.028 |
Average: |
40.8 |
-1.0 |
0.484 |
2 |
0 |
0 |
0.028 |
16 |
23 |
|
[ACT]A:804 |
3 |
1 |
182 |
f |
[HEM]A:801 |
x,y,z |
1_555 |
5 |
1 |
817 |
38.3 |
-1.2 |
0.747 |
0 |
0 |
0 |
0.009 |
17 |
24 |
|
[ACT]B:804 |
3 |
1 |
183 |
f |
[HEM]B:801 |
x,y,z |
1_555 |
5 |
1 |
821 |
36.6 |
-1.1 |
0.750 |
0 |
0 |
0 |
0.008 |
18 |
25 |
|
[ZN]A:805 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20241 |
34.7 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.226 |
26 |
|
[ZN]A:805 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20219 |
34.4 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.226 |
Average: |
34.6 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.226 |
19 |
27 |
|
[9PM]A:803 |
4 |
1 |
573 |
f |
[H4B]A:802 |
x,y,z |
1_555 |
3 |
1 |
398 |
18.0 |
-0.5 |
0.360 |
0 |
0 |
0 |
0.007 |
28 |
|
[9PM]B:803 |
5 |
1 |
579 |
f |
[H4B]B:802 |
x,y,z |
1_555 |
3 |
1 |
398 |
16.9 |
-0.4 |
0.360 |
0 |
0 |
0 |
0.007 |
Average: |
17.5 |
-0.5 |
0.360 |
0 |
0 |
0 |
0.007 |
20 |
29 |
|
B |
1 |
1 |
20219 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
20219 |
9.8 |
0.5 |
0.886 |
0 |
0 |
0 |
0.000 |
|