## |
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 |
|
[HEM]C:101 |
43 |
1 |
822 |
cf |
C |
x,y,z |
1_555 |
77 |
26 |
5378 |
575.8 |
-23.1 |
0.255 |
3 |
0 |
0 |
0.638 |
2 |
|
[HEM]B:101 |
43 |
1 |
822 |
cf |
B |
x,y,z |
1_555 |
75 |
26 |
5454 |
563.4 |
-22.7 |
0.310 |
5 |
0 |
0 |
0.638 |
3 |
|
[HEM]A:101 |
43 |
1 |
824 |
cf |
A |
x,y,z |
1_555 |
76 |
26 |
5544 |
563.2 |
-23.0 |
0.274 |
5 |
0 |
0 |
0.638 |
4 |
|
[HEM]D:101 |
43 |
1 |
816 |
cf |
D |
x,y,z |
1_555 |
73 |
26 |
5480 |
561.1 |
-22.1 |
0.298 |
4 |
0 |
0 |
0.638 |
Average: |
565.9 |
-22.7 |
0.285 |
4 |
0 |
0 |
0.638 |
2 |
5 |
|
C |
56 |
17 |
5378 |
◊ |
A |
x,y,z |
1_555 |
56 |
17 |
5544 |
541.2 |
-6.5 |
0.238 |
4 |
0 |
0 |
0.106 |
6 |
|
D |
51 |
14 |
5480 |
◊ |
B |
x,y,z |
1_555 |
51 |
16 |
5454 |
509.9 |
-8.3 |
0.124 |
1 |
0 |
0 |
0.106 |
Average: |
525.6 |
-7.4 |
0.181 |
3 |
0 |
0 |
0.106 |
3 |
7 |
|
D |
48 |
14 |
5480 |
◊ |
A |
x-1,y-1,z |
1_445 |
46 |
15 |
5544 |
416.3 |
-2.8 |
0.514 |
8 |
0 |
0 |
0.000 |
4 |
8 |
|
C |
55 |
13 |
5378 |
◊ |
B |
x-1,y,z-1 |
1_454 |
52 |
13 |
5454 |
408.6 |
-1.7 |
0.630 |
1 |
0 |
0 |
0.000 |
5 |
9 |
|
C |
39 |
12 |
5378 |
◊ |
A |
x-1,y,z |
1_455 |
38 |
10 |
5544 |
383.0 |
-1.8 |
0.573 |
4 |
2 |
0 |
0.000 |
6 |
10 |
|
B |
36 |
11 |
5454 |
◊ |
A |
x,y,z |
1_555 |
30 |
11 |
5544 |
312.1 |
-2.6 |
0.460 |
0 |
0 |
0 |
0.000 |
11 |
|
D |
33 |
11 |
5480 |
◊ |
C |
x,y,z |
1_555 |
31 |
12 |
5378 |
308.8 |
-1.0 |
0.575 |
0 |
0 |
0 |
0.000 |
Average: |
310.4 |
-1.8 |
0.518 |
0 |
0 |
0 |
0.000 |
7 |
12 |
|
D |
27 |
10 |
5480 |
◊ |
A |
x,y-1,z |
1_545 |
26 |
9 |
5544 |
258.5 |
-1.9 |
0.478 |
2 |
2 |
0 |
0.000 |
8 |
13 |
|
A |
26 |
8 |
5544 |
◊ |
B |
x,y,z-1 |
1_554 |
26 |
8 |
5454 |
238.2 |
-2.2 |
0.449 |
3 |
2 |
0 |
0.000 |
9 |
14 |
|
[SO4]D:102 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
5480 |
86.8 |
-13.1 |
0.732 |
5 |
0 |
0 |
0.168 |
10 |
15 |
|
[SO4]A:104 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
5544 |
84.4 |
-12.9 |
0.705 |
5 |
0 |
0 |
0.194 |
11 |
16 |
|
[SO4]B:102 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
5454 |
78.0 |
-10.4 |
0.785 |
3 |
0 |
0 |
0.128 |
12 |
17 |
|
D |
20 |
6 |
5480 |
f |
[ACT]A:102 |
x-1,y-1,z |
1_445 |
4 |
1 |
182 |
77.2 |
-0.7 |
0.661 |
0 |
0 |
0 |
0.007 |
13 |
18 |
|
[ACT]A:102 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
19 |
6 |
5544 |
76.8 |
-0.5 |
0.672 |
0 |
0 |
0 |
0.000 |
14 |
19 |
|
D |
8 |
4 |
5480 |
◊ |
B |
x-1,y,z |
1_455 |
11 |
4 |
5454 |
71.0 |
1.1 |
0.818 |
1 |
0 |
0 |
0.000 |
15 |
20 |
|
[ACT]A:103 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
5544 |
70.6 |
0.4 |
0.794 |
1 |
0 |
0 |
0.000 |
16 |
21 |
|
[HEM]A:101 |
2 |
1 |
824 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
5378 |
64.1 |
-2.1 |
0.218 |
0 |
0 |
0 |
0.053 |
22 |
|
[HEM]B:101 |
2 |
1 |
822 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
5480 |
64.0 |
-2.1 |
0.175 |
0 |
0 |
0 |
0.053 |
23 |
|
[HEM]C:101 |
3 |
1 |
822 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
5544 |
63.3 |
-2.1 |
0.220 |
0 |
0 |
0 |
0.053 |
24 |
|
[HEM]D:101 |
2 |
1 |
816 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
5454 |
62.6 |
-2.0 |
0.188 |
0 |
0 |
0 |
0.053 |
Average: |
63.5 |
-2.1 |
0.200 |
0 |
0 |
0 |
0.053 |
17 |
25 |
|
D |
6 |
2 |
5480 |
f |
[ACT]A:103 |
x-1,y-1,z |
1_445 |
3 |
1 |
183 |
45.5 |
-1.2 |
0.475 |
0 |
0 |
0 |
0.013 |
18 |
26 |
|
C |
8 |
3 |
5378 |
◊ |
[ACT]A:103 |
x-1,y,z |
1_455 |
3 |
1 |
183 |
30.2 |
0.2 |
0.714 |
0 |
0 |
0 |
0.000 |
19 |
27 |
|
D |
2 |
2 |
5480 |
◊ |
C |
x,y-1,z |
1_545 |
4 |
3 |
5378 |
28.1 |
0.7 |
0.725 |
0 |
0 |
0 |
0.000 |
20 |
28 |
|
[HEM]D:101 |
1 |
1 |
816 |
◊ |
[HEM]B:101 |
x,y,z |
1_555 |
1 |
1 |
822 |
20.7 |
-0.7 |
0.407 |
0 |
0 |
0 |
0.008 |
29 |
|
[HEM]C:101 |
1 |
1 |
822 |
◊ |
[HEM]A:101 |
x,y,z |
1_555 |
1 |
1 |
824 |
19.7 |
-0.6 |
0.407 |
0 |
0 |
0 |
0.008 |
Average: |
20.2 |
-0.6 |
0.407 |
0 |
0 |
0 |
0.008 |
21 |
30 |
|
D |
3 |
2 |
5480 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
5544 |
12.8 |
-0.3 |
0.491 |
0 |
0 |
0 |
0.000 |
31 |
|
C |
2 |
1 |
5378 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
5454 |
9.1 |
-0.3 |
0.323 |
0 |
0 |
0 |
0.000 |
Average: |
11.0 |
-0.3 |
0.407 |
0 |
0 |
0 |
0.000 |
22 |
32 |
|
[HEM]B:101 |
1 |
1 |
822 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
5544 |
2.9 |
-0.0 |
0.824 |
0 |
0 |
0 |
0.000 |
33 |
|
[HEM]D:101 |
1 |
1 |
816 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
5378 |
0.5 |
0.0 |
0.831 |
0 |
0 |
0 |
0.000 |
Average: |
1.7 |
-0.0 |
0.827 |
0 |
0 |
0 |
0.000 |
23 |
34 |
|
[HEM]A:101 |
1 |
1 |
824 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
5454 |
2.2 |
-0.0 |
0.778 |
0 |
0 |
0 |
0.000 |
|