## |
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 |
|
D |
142 |
38 |
19906 |
◊ |
A |
x,y,z |
1_555 |
130 |
37 |
21568 |
1277.5 |
-0.8 |
0.708 |
20 |
23 |
0 |
0.095 |
2 |
|
C |
136 |
38 |
20847 |
◊ |
B |
x,y,z |
1_555 |
135 |
36 |
20809 |
1268.6 |
0.4 |
0.794 |
19 |
23 |
0 |
0.095 |
Average: |
1273.0 |
-0.2 |
0.751 |
20 |
23 |
0 |
0.095 |
2 |
3 |
|
C |
81 |
25 |
20847 |
◊ |
A |
x,y,z |
1_555 |
84 |
21 |
21568 |
732.9 |
-6.6 |
0.244 |
3 |
3 |
0 |
0.062 |
4 |
|
D |
82 |
25 |
19906 |
◊ |
B |
x,y,z |
1_555 |
80 |
22 |
20809 |
730.1 |
-4.6 |
0.348 |
5 |
3 |
0 |
0.062 |
Average: |
731.5 |
-5.6 |
0.296 |
4 |
3 |
0 |
0.062 |
3 |
5 |
|
[HEM]A:501 |
43 |
1 |
840 |
f |
A |
x,y,z |
1_555 |
101 |
34 |
21568 |
654.1 |
-24.4 |
0.351 |
4 |
0 |
0 |
0.386 |
6 |
|
[HEM]B:501 |
43 |
1 |
832 |
cf |
B |
x,y,z |
1_555 |
104 |
36 |
20809 |
652.0 |
-23.5 |
0.380 |
5 |
0 |
0 |
0.386 |
7 |
|
[HEM]C:501 |
43 |
1 |
841 |
f |
C |
x,y,z |
1_555 |
100 |
34 |
20847 |
644.1 |
-24.0 |
0.355 |
5 |
0 |
0 |
0.386 |
8 |
|
[HEM]D:501 |
43 |
1 |
831 |
f |
D |
x,y,z |
1_555 |
91 |
33 |
19906 |
637.1 |
-21.9 |
0.453 |
3 |
0 |
0 |
0.386 |
Average: |
646.8 |
-23.4 |
0.385 |
4 |
0 |
0 |
0.386 |
4 |
9 |
|
D |
62 |
17 |
19906 |
◊ |
D |
-x,-y+1,z |
2_565 |
61 |
17 |
19906 |
608.4 |
-12.8 |
0.008 |
2 |
0 |
0 |
0.013 |
10 |
|
A |
68 |
22 |
21568 |
◊ |
C |
-x-1/2,y-1/2,-z |
3_445 |
60 |
20 |
20847 |
569.7 |
-10.7 |
0.044 |
3 |
2 |
0 |
0.013 |
Average: |
589.1 |
-11.7 |
0.026 |
3 |
1 |
0 |
0.013 |
5 |
11 |
|
A |
40 |
12 |
21568 |
◊ |
B |
x,y,z-1 |
1_554 |
43 |
13 |
20809 |
400.7 |
1.2 |
0.740 |
4 |
0 |
0 |
0.000 |
6 |
12 |
|
D |
27 |
10 |
19906 |
◊ |
B |
x,y,z-1 |
1_554 |
29 |
10 |
20809 |
246.2 |
-0.0 |
0.514 |
1 |
0 |
0 |
0.000 |
7 |
13 |
|
C |
28 |
8 |
20847 |
x |
C |
-x-1/2,y-1/2,-z+1 |
3_446 |
22 |
6 |
20847 |
226.0 |
1.1 |
0.765 |
3 |
1 |
0 |
0.000 |
8 |
14 |
|
A |
22 |
6 |
21568 |
x |
A |
x,y-1,z |
1_545 |
30 |
9 |
21568 |
210.8 |
-1.5 |
0.402 |
1 |
4 |
0 |
0.000 |
9 |
15 |
|
B |
16 |
4 |
20809 |
x |
B |
x,y-1,z |
1_545 |
13 |
4 |
20809 |
137.3 |
-1.7 |
0.314 |
0 |
0 |
0 |
0.000 |
10 |
16 |
|
C |
13 |
5 |
20847 |
x |
C |
-x-1/2,y-1/2,-z |
3_445 |
16 |
4 |
20847 |
125.1 |
-2.2 |
0.213 |
0 |
0 |
0 |
0.000 |
11 |
17 |
|
[SO4]C:504 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
16 |
8 |
20847 |
98.7 |
-14.3 |
0.672 |
0 |
0 |
0 |
0.106 |
12 |
18 |
|
[SO4]D:502 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
15 |
9 |
19906 |
98.2 |
-15.0 |
0.700 |
4 |
0 |
0 |
0.122 |
13 |
19 |
|
[SO4]B:502 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
20809 |
96.8 |
-14.7 |
0.714 |
2 |
0 |
0 |
0.102 |
14 |
20 |
|
[SO4]A:502 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
21568 |
91.7 |
-14.1 |
0.721 |
3 |
0 |
0 |
0.114 |
15 |
21 |
|
[SO4]C:502 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
8 |
20847 |
90.8 |
-14.4 |
0.739 |
3 |
0 |
0 |
0.116 |
16 |
22 |
|
[SO4]B:504 |
5 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
20809 |
75.9 |
-10.8 |
0.760 |
2 |
0 |
0 |
0.076 |
17 |
23 |
|
[SO4]C:503 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
20847 |
73.7 |
-10.7 |
0.731 |
0 |
0 |
0 |
0.079 |
18 |
24 |
|
[SO4]C:503 |
5 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
21568 |
70.0 |
-10.2 |
0.624 |
0 |
0 |
0 |
0.075 |
19 |
25 |
|
[SO4]B:503 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
20809 |
62.7 |
-8.0 |
0.819 |
0 |
0 |
0 |
0.052 |
20 |
26 |
|
[SO4]A:503 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
21568 |
61.8 |
-8.1 |
0.815 |
1 |
0 |
0 |
0.063 |
21 |
27 |
|
[SO4]D:503 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
19906 |
58.7 |
-7.7 |
0.836 |
0 |
0 |
0 |
0.056 |
22 |
28 |
|
[SO4]A:503 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
19906 |
52.7 |
-6.8 |
0.611 |
0 |
0 |
0 |
0.050 |
23 |
29 |
|
[SO4]D:503 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
21568 |
50.4 |
-7.0 |
0.540 |
0 |
0 |
0 |
0.051 |
24 |
30 |
|
C |
4 |
2 |
20847 |
◊ |
A |
-x-1/2,y-1/2,-z |
3_445 |
5 |
2 |
21568 |
46.4 |
1.4 |
0.671 |
1 |
1 |
0 |
0.000 |
25 |
31 |
|
[SO4]B:503 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
20847 |
46.2 |
-5.9 |
0.820 |
0 |
0 |
0 |
0.038 |
26 |
32 |
|
A |
4 |
2 |
21568 |
◊ |
B |
x,y-1,z |
1_545 |
5 |
1 |
20809 |
35.0 |
-0.8 |
0.293 |
0 |
0 |
0 |
0.000 |
27 |
33 |
|
[SO4]C:502 |
2 |
1 |
185 |
◊ |
[SO4]B:503 |
x,y,z |
1_555 |
3 |
1 |
185 |
29.9 |
-7.1 |
0.976 |
0 |
0 |
0 |
0.046 |
28 |
34 |
|
[SO4]D:502 |
3 |
1 |
187 |
◊ |
[SO4]A:503 |
x,y,z |
1_555 |
1 |
1 |
186 |
26.9 |
-6.4 |
0.891 |
0 |
0 |
0 |
0.046 |
29 |
35 |
|
[SO4]D:503 |
1 |
1 |
185 |
◊ |
[SO4]A:502 |
x,y,z |
1_555 |
3 |
1 |
185 |
25.3 |
-5.9 |
0.891 |
0 |
0 |
0 |
0.043 |
30 |
36 |
|
D |
3 |
2 |
19906 |
x |
D |
x,y-1,z |
1_545 |
2 |
1 |
19906 |
18.6 |
0.1 |
0.417 |
0 |
0 |
0 |
0.000 |
31 |
37 |
|
[SO4]C:502 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
20809 |
5.7 |
-0.6 |
0.805 |
0 |
0 |
0 |
0.004 |
32 |
38 |
|
[SO4]B:502 |
1 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
20847 |
3.8 |
-0.4 |
0.879 |
0 |
0 |
0 |
0.003 |
33 |
39 |
|
[SO4]D:502 |
3 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
21568 |
3.0 |
-0.3 |
0.868 |
0 |
0 |
0 |
0.002 |
34 |
40 |
|
[SO4]A:502 |
2 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
19906 |
1.4 |
0.0 |
0.849 |
0 |
0 |
0 |
0.000 |
35 |
41 |
|
[SO4]A:503 |
1 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
20809 |
1.0 |
-0.1 |
0.847 |
0 |
0 |
0 |
0.000 |
|