## |
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 |
275 |
72 |
20521 |
◊ |
A |
x,y,z |
1_555 |
267 |
70 |
20281 |
2663.2 |
-39.8 |
0.005 |
37 |
9 |
0 |
0.470 |
2 |
2 |
|
A |
68 |
19 |
20281 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
68 |
18 |
20521 |
653.9 |
-1.3 |
0.669 |
17 |
0 |
0 |
0.000 |
3 |
3 |
|
[HEM]B:750 |
43 |
1 |
821 |
f |
B |
x,y,z |
1_555 |
74 |
24 |
20521 |
522.7 |
-17.4 |
0.272 |
0 |
0 |
0 |
0.284 |
4 |
|
[HEM]A:750 |
43 |
1 |
817 |
f |
A |
x,y,z |
1_555 |
78 |
24 |
20281 |
522.6 |
-17.4 |
0.310 |
0 |
0 |
0 |
0.284 |
Average: |
522.6 |
-17.4 |
0.291 |
0 |
0 |
0 |
0.284 |
4 |
5 |
|
B |
48 |
15 |
20521 |
x |
B |
x-1,y,z |
1_455 |
54 |
15 |
20521 |
492.4 |
-1.0 |
0.626 |
1 |
0 |
0 |
0.000 |
5 |
6 |
|
[X2C]B:800 |
27 |
1 |
681 |
f |
B |
x,y,z |
1_555 |
58 |
23 |
20521 |
397.9 |
-2.0 |
0.452 |
1 |
0 |
0 |
0.043 |
7 |
|
[X2C]A:800 |
27 |
1 |
672 |
f |
A |
x,y,z |
1_555 |
62 |
23 |
20281 |
389.6 |
-2.3 |
0.458 |
1 |
0 |
0 |
0.043 |
Average: |
393.8 |
-2.2 |
0.455 |
1 |
0 |
0 |
0.043 |
6 |
8 |
|
B |
36 |
10 |
20521 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
29 |
8 |
20281 |
290.7 |
-2.2 |
0.424 |
3 |
1 |
0 |
0.000 |
7 |
9 |
|
A |
26 |
12 |
20281 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
22 |
8 |
20521 |
193.6 |
-0.3 |
0.642 |
0 |
0 |
0 |
0.000 |
8 |
10 |
|
[H4B]B:760 |
17 |
1 |
400 |
f |
B |
x,y,z |
1_555 |
29 |
8 |
20521 |
187.5 |
1.8 |
0.433 |
2 |
0 |
0 |
0.000 |
11 |
|
[H4B]A:760 |
17 |
1 |
399 |
f |
A |
x,y,z |
1_555 |
27 |
8 |
20281 |
185.3 |
1.6 |
0.418 |
2 |
0 |
0 |
0.000 |
Average: |
186.4 |
1.7 |
0.426 |
2 |
0 |
0 |
0.000 |
9 |
12 |
|
[X2C]B:800 |
19 |
1 |
681 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
31 |
1 |
821 |
170.1 |
-5.2 |
0.764 |
4 |
0 |
0 |
0.114 |
13 |
|
[X2C]A:800 |
20 |
1 |
672 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
32 |
1 |
817 |
165.3 |
-5.2 |
0.763 |
4 |
0 |
0 |
0.114 |
Average: |
167.7 |
-5.2 |
0.764 |
4 |
0 |
0 |
0.114 |
10 |
14 |
|
[ACT]B:860 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
20521 |
119.9 |
-1.3 |
0.492 |
1 |
0 |
0 |
0.014 |
11 |
15 |
|
[H4B]B:760 |
13 |
1 |
400 |
◊ |
A |
x,y,z |
1_555 |
21 |
6 |
20281 |
117.5 |
-0.2 |
0.259 |
1 |
0 |
0 |
0.010 |
16 |
|
[H4B]A:760 |
13 |
1 |
399 |
◊ |
B |
x,y,z |
1_555 |
24 |
6 |
20521 |
115.7 |
-0.1 |
0.284 |
1 |
0 |
0 |
0.010 |
Average: |
116.6 |
-0.2 |
0.272 |
1 |
0 |
0 |
0.010 |
12 |
17 |
|
[ACT]A:860 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
20281 |
116.3 |
-1.4 |
0.508 |
1 |
0 |
0 |
0.015 |
13 |
18 |
|
[H4B]A:760 |
4 |
1 |
399 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
817 |
40.8 |
-1.2 |
0.455 |
2 |
0 |
0 |
0.032 |
19 |
|
[H4B]B:760 |
3 |
1 |
400 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
821 |
38.8 |
-1.4 |
0.430 |
1 |
0 |
0 |
0.032 |
Average: |
39.8 |
-1.3 |
0.442 |
2 |
0 |
0 |
0.032 |
14 |
20 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20521 |
34.8 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.249 |
21 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20281 |
34.6 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.249 |
Average: |
34.7 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.249 |
15 |
22 |
|
[X2C]A:800 |
3 |
1 |
672 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
3 |
1 |
399 |
31.8 |
0.3 |
0.302 |
1 |
0 |
0 |
0.003 |
23 |
|
[X2C]B:800 |
3 |
1 |
681 |
f |
[H4B]B:760 |
x,y,z |
1_555 |
3 |
1 |
400 |
31.3 |
0.3 |
0.311 |
1 |
0 |
0 |
0.003 |
Average: |
31.5 |
0.3 |
0.306 |
1 |
0 |
0 |
0.003 |
16 |
24 |
|
[X2C]B:800 |
2 |
1 |
681 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
20281 |
31.7 |
-1.0 |
0.297 |
0 |
0 |
0 |
0.016 |
25 |
|
[X2C]A:800 |
1 |
1 |
672 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
20521 |
28.8 |
-0.9 |
0.218 |
0 |
0 |
0 |
0.016 |
Average: |
30.2 |
-1.0 |
0.257 |
0 |
0 |
0 |
0.016 |
17 |
26 |
|
[ACT]B:860 |
1 |
1 |
183 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
3 |
1 |
821 |
27.4 |
-0.9 |
0.456 |
0 |
0 |
0 |
0.007 |
18 |
27 |
|
[ACT]A:860 |
3 |
1 |
183 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
817 |
26.5 |
-0.8 |
0.818 |
0 |
0 |
0 |
0.006 |
19 |
28 |
|
B |
2 |
1 |
20521 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
3 |
20521 |
25.8 |
1.5 |
0.925 |
0 |
0 |
0 |
0.000 |
20 |
29 |
|
A |
1 |
1 |
20281 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
20281 |
8.3 |
0.2 |
0.824 |
0 |
0 |
0 |
0.000 |
21 |
30 |
|
A |
1 |
1 |
20281 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
20521 |
5.6 |
-0.0 |
0.496 |
0 |
0 |
0 |
0.000 |
22 |
31 |
|
A |
1 |
1 |
20281 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
20281 |
5.3 |
-0.2 |
0.323 |
0 |
0 |
0 |
0.000 |
|