| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
[HEM]A:201 |
42 |
1 |
815 |
f |
A |
x,y,z |
1_555 |
70 |
28 |
8255 |
550.3 |
-20.3 |
0.238 |
3 |
0 |
0 |
0.325 |
2 |
|
A |
45 |
15 |
8255 |
x |
A |
x-y+1,x,z |
6_655 |
40 |
13 |
8255 |
421.6 |
-0.5 |
0.577 |
8 |
2 |
0 |
0.000 |
3 |
|
A |
27 |
10 |
8255 |
x |
A |
-y+2,x-y+2,z |
2_775 |
29 |
9 |
8255 |
268.8 |
-0.5 |
0.594 |
2 |
0 |
0 |
0.020 |
4 |
|
A |
20 |
6 |
8255 |
x |
A |
x,y,z-1 |
1_554 |
26 |
9 |
8255 |
247.6 |
-3.9 |
0.155 |
1 |
2 |
0 |
0.000 |
5 |
|
[GOL]A:204 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
8255 |
110.3 |
-0.5 |
0.500 |
5 |
0 |
0 |
0.041 |
6 |
|
[GOL]A:214 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
8255 |
98.5 |
-0.7 |
0.488 |
1 |
0 |
0 |
0.017 |
7 |
|
[NO2]A:205 |
3 |
1 |
148 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
8255 |
84.3 |
0.5 |
0.602 |
3 |
0 |
0 |
0.012 |
8 |
|
[NO2]A:213 |
3 |
1 |
147 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
8255 |
82.9 |
0.7 |
0.642 |
0 |
0 |
0 |
0.000 |
9 |
|
[NO2]A:207 |
3 |
1 |
148 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
8255 |
81.7 |
1.7 |
0.843 |
2 |
0 |
0 |
0.000 |
10 |
|
[NO2]A:208 |
3 |
1 |
150 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
8255 |
72.4 |
0.8 |
0.705 |
0 |
0 |
0 |
0.000 |
11 |
|
[SO4]A:202 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
8255 |
69.0 |
-9.7 |
0.615 |
2 |
0 |
0 |
0.158 |
12 |
|
[NO2]A:210 |
3 |
1 |
149 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
8255 |
65.4 |
0.4 |
0.632 |
1 |
0 |
0 |
0.000 |
13 |
|
[NO2]A:212 |
3 |
1 |
148 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
8255 |
64.5 |
0.5 |
0.685 |
0 |
0 |
0 |
0.000 |
14 |
|
[NO]A:203 |
2 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
8255 |
59.5 |
-1.4 |
0.642 |
0 |
0 |
0 |
0.022 |
15 |
|
[SO4]A:202 |
4 |
1 |
187 |
◊ |
A |
x,y,z-1 |
1_554 |
5 |
3 |
8255 |
50.0 |
-7.1 |
0.540 |
1 |
0 |
0 |
0.000 |
16 |
|
[NO2]A:211 |
3 |
1 |
149 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
8255 |
49.9 |
0.3 |
0.668 |
1 |
0 |
0 |
0.000 |
17 |
|
[NO]A:203 |
2 |
1 |
129 |
f |
[HEM]A:201 |
x,y,z |
1_555 |
18 |
1 |
815 |
46.7 |
-2.2 |
0.866 |
0 |
0 |
0 |
0.033 |
18 |
|
[SO4]A:209 |
4 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
8255 |
45.3 |
-4.7 |
0.950 |
2 |
0 |
0 |
0.083 |
19 |
|
[SO4]A:206 |
5 |
1 |
186 |
f |
A |
-y+2,x-y+2,z |
2_775 |
5 |
3 |
8255 |
43.6 |
-6.3 |
0.890 |
1 |
0 |
0 |
0.102 |
20 |
|
A |
5 |
3 |
8255 |
◊ |
[SO4]A:206 |
-y+2,x-y+2,z |
2_775 |
5 |
1 |
186 |
43.4 |
-6.3 |
0.893 |
1 |
0 |
0 |
0.101 |
21 |
|
[SO4]A:206 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
8255 |
43.3 |
-6.3 |
0.893 |
1 |
0 |
0 |
0.101 |
22 |
|
[NO2]A:212 |
3 |
1 |
148 |
◊ |
A |
x-y+1,x,z |
6_655 |
5 |
3 |
8255 |
43.0 |
0.3 |
0.615 |
1 |
0 |
0 |
0.000 |
23 |
|
[NO2]A:208 |
3 |
1 |
150 |
◊ |
A |
x-y+1,x,z |
6_655 |
2 |
1 |
8255 |
37.2 |
0.5 |
0.867 |
0 |
0 |
0 |
0.000 |
24 |
|
A |
3 |
2 |
8255 |
◊ |
[SO4]A:209 |
x-y+1,x,z |
6_655 |
3 |
1 |
189 |
34.9 |
-4.7 |
0.559 |
0 |
0 |
0 |
0.000 |
25 |
|
A |
2 |
1 |
8255 |
f |
[NO2]A:210 |
-y+2,x-y+2,z |
2_775 |
2 |
1 |
149 |
28.2 |
-0.1 |
0.397 |
0 |
0 |
0 |
0.001 |
26 |
|
A |
2 |
1 |
8255 |
◊ |
[NO2]A:205 |
x-y+1,x,z |
6_655 |
2 |
1 |
148 |
28.2 |
0.9 |
0.956 |
1 |
0 |
0 |
0.000 |
27 |
|
A |
3 |
1 |
8255 |
◊ |
[GOL]A:214 |
x,y,z-1 |
1_554 |
1 |
1 |
219 |
13.3 |
-0.4 |
0.442 |
0 |
0 |
0 |
0.000 |
28 |
|
A |
3 |
1 |
8255 |
◊ |
A |
-x+1,-y+2,z |
4_675 |
3 |
1 |
8255 |
8.6 |
0.6 |
0.800 |
0 |
0 |
0 |
0.000 |
29 |
|
[SO4]A:202 |
2 |
1 |
187 |
f |
[NO2]A:211 |
x,y,z-1 |
1_554 |
1 |
1 |
149 |
8.4 |
-0.9 |
0.980 |
0 |
0 |
0 |
0.013 |
30 |
|
[NO2]A:208 |
2 |
1 |
150 |
f |
[HEM]A:201 |
x,y,z |
1_555 |
2 |
1 |
815 |
6.6 |
-0.2 |
0.886 |
0 |
0 |
0 |
0.003 |
31 |
|
[NO2]A:207 |
1 |
1 |
148 |
f |
[SO4]A:209 |
x,y,z |
1_555 |
3 |
1 |
189 |
6.0 |
-0.6 |
0.996 |
0 |
0 |
0 |
0.009 |
32 |
|
[NO2]A:213 |
2 |
1 |
147 |
f |
[GOL]A:214 |
x,y,z |
1_555 |
1 |
1 |
219 |
5.8 |
0.1 |
0.707 |
0 |
0 |
0 |
0.000 |
33 |
|
[NO2]A:212 |
2 |
1 |
148 |
◊ |
[GOL]A:204 |
x-y+1,x,z |
6_655 |
2 |
1 |
219 |
4.7 |
0.1 |
0.764 |
0 |
0 |
0 |
0.000 |
34 |
|
[NO2]A:210 |
1 |
1 |
149 |
◊ |
A |
-x+1,-y+2,z |
4_675 |
1 |
1 |
8255 |
2.5 |
0.1 |
0.909 |
0 |
0 |
0 |
0.000 |
35 |
|
[NO2]A:205 |
1 |
1 |
148 |
f |
[SO4]A:209 |
x,y,z |
1_555 |
1 |
1 |
189 |
2.1 |
-0.2 |
1.000 |
0 |
0 |
0 |
0.004 |
|