## |
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 |
|
[NII]B:27 |
39 |
1 |
806 |
f |
B |
x,y,z |
1_555 |
57 |
5 |
4849 |
324.3 |
0.4 |
0.484 |
2 |
0 |
0 |
0.000 |
2 |
2 |
|
[NII]A:27 |
40 |
1 |
845 |
f |
A |
x,y,z |
1_555 |
59 |
6 |
4465 |
316.7 |
3.6 |
0.543 |
0 |
0 |
0 |
0.000 |
3 |
3 |
|
B |
36 |
4 |
4849 |
◊ |
A |
x,y,z |
1_555 |
43 |
6 |
4465 |
304.1 |
6.8 |
0.910 |
3 |
0 |
0 |
0.000 |
4 |
4 |
|
[NII]B:29 |
37 |
1 |
835 |
◊ |
B |
x,y,z |
1_555 |
44 |
7 |
4849 |
300.9 |
2.8 |
0.614 |
2 |
0 |
0 |
0.000 |
5 |
5 |
|
[NII]B:28 |
34 |
1 |
860 |
f |
B |
x,y,z |
1_555 |
41 |
5 |
4849 |
280.2 |
0.3 |
0.494 |
2 |
0 |
0 |
0.000 |
6 |
6 |
|
[NII]A:26 |
36 |
1 |
823 |
f |
A |
x,y,z |
1_555 |
50 |
4 |
4465 |
257.2 |
5.4 |
0.678 |
0 |
0 |
0 |
0.000 |
7 |
7 |
|
[NII]B:27 |
39 |
1 |
806 |
◊ |
[NII]A:27 |
x,y,z |
1_555 |
38 |
1 |
845 |
245.5 |
1.2 |
0.321 |
0 |
0 |
0 |
0.000 |
8 |
8 |
|
[NII]B:28 |
31 |
1 |
860 |
◊ |
A |
x-1,y,z |
1_455 |
30 |
4 |
4465 |
242.4 |
1.7 |
0.583 |
0 |
0 |
0 |
0.000 |
9 |
9 |
|
[NII]B:26 |
32 |
1 |
864 |
f |
B |
x,y,z |
1_555 |
47 |
4 |
4849 |
226.6 |
4.7 |
0.556 |
0 |
0 |
0 |
0.000 |
10 |
10 |
|
[NII]B:26 |
30 |
1 |
864 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
24 |
3 |
4849 |
199.5 |
-0.9 |
0.409 |
3 |
0 |
0 |
0.000 |
11 |
11 |
|
A |
19 |
2 |
4465 |
◊ |
[NII]A:26 |
-x,y-1/2,-z-1 |
2_544 |
26 |
1 |
823 |
167.1 |
0.7 |
0.525 |
0 |
0 |
0 |
0.000 |
12 |
12 |
|
B |
21 |
2 |
4849 |
f |
[NII]B:29 |
x-1,y,z |
1_455 |
28 |
1 |
835 |
147.7 |
0.0 |
0.448 |
0 |
0 |
0 |
0.000 |
13 |
13 |
|
[NII]B:26 |
24 |
1 |
864 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
10 |
1 |
4465 |
116.2 |
3.5 |
0.629 |
0 |
0 |
0 |
0.000 |
14 |
14 |
|
B |
12 |
2 |
4849 |
◊ |
[NII]A:26 |
-x,y-1/2,-z-1 |
2_544 |
21 |
1 |
823 |
111.8 |
2.0 |
0.581 |
0 |
0 |
0 |
0.000 |
15 |
15 |
|
A |
16 |
3 |
4465 |
x |
A |
x-1,y,z |
1_455 |
16 |
2 |
4465 |
109.2 |
-0.8 |
0.535 |
0 |
0 |
0 |
0.000 |
16 |
16 |
|
B |
9 |
2 |
4849 |
◊ |
A |
x-1,y,z |
1_455 |
8 |
2 |
4465 |
101.5 |
-1.9 |
0.365 |
3 |
0 |
0 |
0.000 |
17 |
17 |
|
B |
12 |
2 |
4849 |
x |
B |
x-1,y,z |
1_455 |
15 |
1 |
4849 |
97.3 |
0.5 |
0.630 |
0 |
0 |
0 |
0.000 |
18 |
18 |
|
[NII]B:29 |
18 |
1 |
835 |
◊ |
A |
x,y,z |
1_555 |
11 |
1 |
4465 |
88.6 |
2.0 |
0.556 |
0 |
0 |
0 |
0.000 |
19 |
19 |
|
[NII]A:27 |
4 |
1 |
845 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
4849 |
73.3 |
-1.9 |
0.342 |
1 |
0 |
0 |
0.000 |
20 |
20 |
|
[K]B:24 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
4849 |
73.2 |
-68.8 |
0.000 |
0 |
0 |
0 |
0.033 |
21 |
|
[K]A:24 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
4465 |
72.5 |
-68.7 |
0.000 |
0 |
0 |
0 |
0.033 |
Average: |
72.8 |
-68.8 |
0.000 |
0 |
0 |
0 |
0.033 |
21 |
22 |
|
[K]A:25 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
4465 |
72.0 |
-68.2 |
0.000 |
0 |
0 |
0 |
0.033 |
23 |
|
[K]B:25 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
4849 |
71.4 |
-68.1 |
0.000 |
0 |
0 |
0 |
0.033 |
Average: |
71.7 |
-68.2 |
0.000 |
0 |
0 |
0 |
0.033 |
22 |
24 |
|
[NII]B:27 |
5 |
1 |
806 |
◊ |
A |
x,y,z |
1_555 |
12 |
3 |
4465 |
60.4 |
1.4 |
0.674 |
0 |
0 |
0 |
0.000 |
23 |
25 |
|
[NII]B:28 |
7 |
1 |
860 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
4465 |
46.8 |
0.2 |
0.481 |
0 |
0 |
0 |
0.000 |
24 |
26 |
|
[K]B:25 |
1 |
1 |
216 |
f |
[NII]B:27 |
x,y,z |
1_555 |
22 |
1 |
806 |
44.5 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.010 |
27 |
|
[K]A:25 |
1 |
1 |
216 |
f |
[NII]A:27 |
x,y,z |
1_555 |
20 |
1 |
845 |
42.8 |
-19.9 |
0.000 |
0 |
0 |
0 |
0.010 |
Average: |
43.6 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.010 |
25 |
28 |
|
[K]A:24 |
1 |
1 |
216 |
f |
[NII]A:26 |
x,y,z |
1_555 |
20 |
1 |
823 |
43.2 |
-19.2 |
0.000 |
0 |
0 |
0 |
0.009 |
29 |
|
[K]B:24 |
1 |
1 |
216 |
f |
[NII]B:26 |
x,y,z |
1_555 |
20 |
1 |
864 |
42.6 |
-19.4 |
0.000 |
0 |
0 |
0 |
0.009 |
Average: |
42.9 |
-19.3 |
0.000 |
0 |
0 |
0 |
0.009 |
26 |
30 |
|
[NII]B:28 |
7 |
1 |
860 |
f |
[NII]B:29 |
x-1,y,z |
1_455 |
4 |
1 |
835 |
42.4 |
-1.0 |
0.311 |
0 |
0 |
0 |
0.000 |
27 |
31 |
|
[K]A:25 |
1 |
1 |
216 |
f |
[K]A:24 |
x,y,z |
1_555 |
1 |
1 |
216 |
39.4 |
-39.4 |
0.000 |
0 |
0 |
0 |
0.019 |
28 |
32 |
|
[K]B:25 |
1 |
1 |
216 |
f |
[K]B:24 |
x,y,z |
1_555 |
1 |
1 |
216 |
38.9 |
-38.9 |
0.000 |
0 |
0 |
0 |
0.018 |
29 |
33 |
|
[NII]B:29 |
3 |
1 |
835 |
◊ |
[NII]B:27 |
x,y,z |
1_555 |
2 |
1 |
806 |
18.5 |
0.6 |
0.628 |
0 |
0 |
0 |
0.000 |
30 |
34 |
|
B |
3 |
1 |
4849 |
◊ |
A |
-x,y-1/2,-z-1 |
2_544 |
3 |
1 |
4465 |
15.9 |
-1.4 |
0.282 |
0 |
0 |
0 |
0.000 |
35 |
|
B |
3 |
1 |
4849 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
3 |
1 |
4465 |
14.6 |
-1.2 |
0.295 |
0 |
0 |
0 |
0.000 |
Average: |
15.3 |
-1.3 |
0.289 |
0 |
0 |
0 |
0.000 |
|