## |
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 |
809 |
f |
A |
x,y,z |
1_555 |
72 |
25 |
8258 |
542.1 |
-19.2 |
0.299 |
2 |
0 |
0 |
0.055 |
2 |
|
A |
48 |
15 |
8258 |
x |
A |
x-y+1,x,z |
6_655 |
49 |
15 |
8258 |
441.7 |
0.6 |
0.693 |
7 |
2 |
0 |
0.000 |
3 |
|
A |
29 |
8 |
8258 |
x |
A |
-y+3,x-y+1,z |
2_865 |
27 |
10 |
8258 |
274.9 |
-0.6 |
0.557 |
3 |
1 |
0 |
0.000 |
4 |
|
A |
26 |
9 |
8258 |
x |
A |
x,y,z-1 |
1_554 |
20 |
6 |
8258 |
246.5 |
-3.9 |
0.157 |
1 |
2 |
0 |
0.000 |
5 |
|
[GOL]A:214 |
6 |
1 |
225 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
8258 |
109.1 |
0.2 |
0.593 |
6 |
0 |
0 |
0.007 |
6 |
|
[GOL]A:213 |
6 |
1 |
223 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
8258 |
108.0 |
0.6 |
0.655 |
4 |
0 |
0 |
0.003 |
7 |
|
[NO2]A:209 |
3 |
1 |
148 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
8258 |
88.0 |
1.5 |
0.787 |
0 |
0 |
0 |
0.000 |
8 |
|
[NO2]A:204 |
3 |
1 |
149 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
8258 |
84.7 |
0.9 |
0.693 |
3 |
0 |
0 |
0.001 |
9 |
|
[NO2]A:208 |
3 |
1 |
148 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
8258 |
82.6 |
1.5 |
0.740 |
0 |
0 |
0 |
0.000 |
10 |
|
[NO2]A:205 |
3 |
1 |
148 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
8258 |
80.0 |
1.1 |
0.728 |
1 |
0 |
0 |
0.000 |
11 |
|
[NO2]A:212 |
3 |
1 |
148 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
8258 |
75.0 |
0.6 |
0.646 |
0 |
0 |
0 |
0.000 |
12 |
|
[NO2]A:206 |
3 |
1 |
150 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
8258 |
72.1 |
0.6 |
0.671 |
1 |
0 |
0 |
0.000 |
13 |
|
[NO2]A:210 |
3 |
1 |
148 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
8258 |
69.5 |
1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
14 |
|
[SO4]A:202 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
8258 |
68.9 |
-9.9 |
0.627 |
2 |
0 |
0 |
0.029 |
15 |
|
[NO2]A:215 |
3 |
1 |
148 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
8258 |
68.7 |
0.9 |
0.679 |
0 |
0 |
0 |
0.000 |
16 |
|
[NO2]A:203 |
3 |
1 |
147 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
8258 |
66.9 |
1.1 |
0.812 |
2 |
0 |
0 |
0.000 |
17 |
|
[NO2]A:207 |
3 |
1 |
148 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
8258 |
52.0 |
0.4 |
0.684 |
0 |
0 |
0 |
0.000 |
18 |
|
A |
5 |
3 |
8258 |
◊ |
[SO4]A:202 |
x,y,z-1 |
1_554 |
4 |
1 |
186 |
51.1 |
-7.1 |
0.533 |
1 |
0 |
0 |
0.000 |
19 |
|
[SO4]A:211 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
8258 |
46.6 |
-4.8 |
0.954 |
2 |
0 |
0 |
0.016 |
20 |
|
[NO2]A:203 |
2 |
1 |
147 |
f |
[HEM]A:201 |
x,y,z |
1_555 |
19 |
1 |
809 |
45.5 |
-0.5 |
1.000 |
0 |
0 |
0 |
0.001 |
21 |
|
A |
2 |
1 |
8258 |
◊ |
[NO2]A:212 |
x-y+1,x,z |
6_655 |
3 |
1 |
148 |
38.7 |
0.5 |
0.850 |
0 |
0 |
0 |
0.000 |
22 |
|
[NO2]A:215 |
2 |
1 |
148 |
f |
[HEM]A:201 |
x,y,z |
1_555 |
11 |
1 |
809 |
35.2 |
-0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
23 |
|
[NO2]A:210 |
3 |
1 |
148 |
f |
[HEM]A:201 |
x,y,z |
1_555 |
2 |
1 |
809 |
29.6 |
-0.2 |
0.747 |
0 |
0 |
0 |
0.000 |
24 |
|
[NO2]A:204 |
1 |
1 |
149 |
◊ |
A |
x-y+1,x,z |
6_655 |
2 |
1 |
8258 |
26.9 |
0.5 |
0.886 |
0 |
0 |
0 |
0.000 |
25 |
|
[SO4]A:211 |
4 |
1 |
186 |
◊ |
A |
x-y+1,x,z |
6_655 |
5 |
2 |
8258 |
24.8 |
-2.9 |
0.832 |
0 |
0 |
0 |
0.000 |
26 |
|
[GOL]A:214 |
1 |
1 |
225 |
◊ |
A |
x-y+1,x,z |
6_655 |
3 |
1 |
8258 |
17.1 |
-0.0 |
0.441 |
0 |
0 |
0 |
0.000 |
27 |
|
A |
4 |
2 |
8258 |
◊ |
A |
-x+3,-y+2,z |
4_875 |
4 |
2 |
8258 |
9.9 |
0.3 |
0.722 |
0 |
0 |
0 |
0.000 |
28 |
|
[NO2]A:205 |
1 |
1 |
148 |
f |
[SO4]A:211 |
x,y,z |
1_555 |
3 |
1 |
186 |
7.7 |
-0.8 |
0.996 |
0 |
0 |
0 |
0.002 |
29 |
|
[NO2]A:207 |
1 |
1 |
148 |
f |
[SO4]A:202 |
x,y,z-1 |
1_554 |
1 |
1 |
186 |
5.1 |
-0.6 |
0.894 |
0 |
0 |
0 |
0.002 |
30 |
|
[NO2]A:212 |
1 |
1 |
148 |
f |
[HEM]A:201 |
x,y,z |
1_555 |
2 |
1 |
809 |
4.1 |
-0.1 |
0.919 |
0 |
0 |
0 |
0.000 |
31 |
|
[NO2]A:204 |
1 |
1 |
149 |
f |
[SO4]A:211 |
x,y,z |
1_555 |
1 |
1 |
186 |
1.4 |
-0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
|