## |
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 |
|
A |
57 |
18 |
6551 |
◊ |
A |
-y,-x,-z-1/2 |
8_554 |
60 |
18 |
6551 |
564.6 |
2.5 |
0.676 |
18 |
0 |
0 |
0.000 |
2 |
2 |
|
A |
48 |
10 |
6551 |
◊ |
A |
y,x,-z-1 |
7_554 |
47 |
10 |
6551 |
404.4 |
-4.1 |
0.132 |
2 |
0 |
0 |
0.000 |
3 |
3 |
|
A |
36 |
12 |
6551 |
x |
A |
-y-1/2,x+1/2,z-1/4 |
3_454 |
36 |
14 |
6551 |
293.7 |
2.4 |
0.724 |
5 |
0 |
0 |
0.000 |
4 |
4 |
|
A |
22 |
6 |
6551 |
x |
A |
-y-1/2,x+1/2,z+3/4 |
3_455 |
23 |
8 |
6551 |
186.3 |
0.6 |
0.575 |
4 |
0 |
0 |
0.000 |
5 |
5 |
|
[DMS]A:208 |
4 |
1 |
206 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
6551 |
125.8 |
3.0 |
0.454 |
0 |
0 |
0 |
0.000 |
6 |
6 |
|
[NO3]A:201 |
4 |
1 |
164 |
◊ |
A |
x,y,z |
1_555 |
13 |
8 |
6551 |
91.3 |
1.6 |
0.563 |
3 |
0 |
0 |
0.000 |
7 |
7 |
|
[NO3]A:202 |
4 |
1 |
165 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
6551 |
90.8 |
1.7 |
0.572 |
2 |
0 |
0 |
0.000 |
8 |
8 |
|
[EDO]A:206 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
15 |
3 |
6551 |
81.9 |
1.3 |
0.198 |
1 |
0 |
0 |
0.000 |
9 |
9 |
|
A |
6 |
2 |
6551 |
◊ |
A |
-y,-x,-z+1/2 |
8_555 |
6 |
2 |
6551 |
66.0 |
-1.6 |
0.124 |
0 |
0 |
0 |
0.000 |
10 |
10 |
|
[NO3]A:205 |
4 |
1 |
165 |
◊ |
A |
-y-1/2,x+1/2,z-1/4 |
3_454 |
15 |
8 |
6551 |
64.1 |
0.6 |
0.387 |
1 |
0 |
0 |
0.000 |
11 |
11 |
|
[NO3]A:204 |
4 |
1 |
165 |
◊ |
A |
-y,-x,-z-1/2 |
8_554 |
16 |
8 |
6551 |
55.8 |
0.8 |
0.440 |
2 |
0 |
0 |
0.000 |
12 |
12 |
|
[NO3]A:205 |
4 |
1 |
165 |
f |
A |
x,y,z |
1_555 |
9 |
2 |
6551 |
54.0 |
0.7 |
0.442 |
2 |
0 |
0 |
0.000 |
13 |
13 |
|
[NO3]A:207 |
4 |
1 |
165 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
6551 |
53.8 |
0.6 |
0.398 |
1 |
0 |
0 |
0.000 |
14 |
14 |
|
[NO3]A:203 |
4 |
1 |
165 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
6551 |
53.3 |
0.5 |
0.384 |
2 |
0 |
0 |
0.000 |
15 |
15 |
|
[AU]A:212 |
1 |
1 |
118 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
6551 |
50.4 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.022 |
16 |
16 |
|
[NA]A:213 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
6551 |
49.9 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.041 |
17 |
17 |
|
[NO3]A:203 |
4 |
1 |
165 |
f |
A |
y,x,-z-1 |
7_554 |
14 |
4 |
6551 |
46.6 |
0.4 |
0.382 |
2 |
0 |
0 |
0.003 |
18 |
18 |
|
[CL]A:209 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
6551 |
45.7 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.040 |
19 |
19 |
|
[NO3]A:203 |
4 |
1 |
165 |
◊ |
[NO3]A:203 |
y,x,-z-1 |
7_554 |
4 |
1 |
165 |
41.3 |
0.9 |
0.320 |
0 |
0 |
0 |
0.000 |
20 |
20 |
|
A |
7 |
4 |
6551 |
x |
A |
x,y,z-1 |
1_554 |
4 |
1 |
6551 |
40.4 |
0.3 |
0.567 |
0 |
0 |
0 |
0.000 |
21 |
21 |
|
[AU]A:210 |
1 |
1 |
118 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
6551 |
38.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.014 |
22 |
22 |
|
[AU]A:211 |
1 |
1 |
118 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
6551 |
37.8 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.013 |
23 |
23 |
|
A |
8 |
4 |
6551 |
◊ |
[NO3]A:207 |
-y-1/2,x+1/2,z-1/4 |
3_454 |
4 |
1 |
165 |
34.0 |
0.5 |
0.751 |
0 |
0 |
0 |
0.000 |
24 |
24 |
|
[AU]A:210 |
1 |
1 |
118 |
◊ |
A |
-y-1/2,x+1/2,z-1/4 |
3_454 |
4 |
2 |
6551 |
32.6 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
25 |
|
[NO3]A:204 |
3 |
1 |
165 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
6551 |
30.2 |
0.9 |
0.913 |
1 |
0 |
0 |
0.000 |
26 |
26 |
|
[NA]A:213 |
1 |
1 |
125 |
◊ |
[NO3]A:207 |
-y-1/2,x+1/2,z-1/4 |
3_454 |
3 |
1 |
165 |
28.8 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
27 |
27 |
|
A |
4 |
2 |
6551 |
◊ |
[NO3]A:204 |
-x-1/2,y-1/2,-z-1/4 |
5_444 |
4 |
1 |
165 |
27.8 |
0.6 |
0.872 |
1 |
0 |
0 |
0.000 |
28 |
28 |
|
[NO3]A:205 |
3 |
1 |
165 |
◊ |
[AU]A:212 |
-y-1/2,x+1/2,z-1/4 |
3_454 |
1 |
1 |
118 |
26.1 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
|
[AU]A:211 |
1 |
1 |
118 |
◊ |
[NO3]A:207 |
x,y,z |
1_555 |
3 |
1 |
165 |
24.2 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
|
[AU]A:210 |
1 |
1 |
118 |
◊ |
[NO3]A:204 |
-y,-x,-z-1/2 |
8_554 |
3 |
1 |
165 |
21.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
23.9 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
31 |
|
A |
5 |
3 |
6551 |
◊ |
[AU]A:212 |
-y-1/2,x+1/2,z-1/4 |
3_454 |
1 |
1 |
118 |
22.3 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
32 |
|
[AU]A:211 |
1 |
1 |
118 |
◊ |
A |
-x-1/2,y-1/2,-z-1/4 |
5_444 |
3 |
1 |
6551 |
22.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
31 |
33 |
|
A |
3 |
2 |
6551 |
x |
A |
-x-1/2,y-1/2,-z-1/4 |
5_444 |
3 |
3 |
6551 |
20.1 |
0.5 |
0.760 |
0 |
0 |
0 |
0.000 |
32 |
34 |
|
A |
3 |
1 |
6551 |
◊ |
[AU]A:211 |
-y-1/2,x+1/2,z-1/4 |
3_454 |
1 |
1 |
118 |
19.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
33 |
35 |
|
[NA]A:213 |
1 |
1 |
125 |
◊ |
A |
-y-1/2,x+1/2,z-1/4 |
3_454 |
5 |
2 |
6551 |
18.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
34 |
36 |
|
[NO3]A:203 |
1 |
1 |
165 |
◊ |
[NO3]A:201 |
x,y,z |
1_555 |
2 |
1 |
164 |
13.5 |
0.3 |
0.500 |
0 |
0 |
0 |
0.000 |
35 |
37 |
|
[NO3]A:207 |
1 |
1 |
165 |
f |
[NO3]A:204 |
-x-1/2,y-1/2,-z-1/4 |
5_444 |
1 |
1 |
165 |
12.3 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
36 |
38 |
|
[NO3]A:203 |
3 |
1 |
165 |
◊ |
[NO3]A:201 |
y,x,-z-1 |
7_554 |
2 |
1 |
164 |
6.9 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
37 |
39 |
|
[AU]A:210 |
1 |
1 |
118 |
◊ |
[NO3]A:207 |
-y-1/2,x+1/2,z-1/4 |
3_454 |
1 |
1 |
165 |
6.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
38 |
40 |
|
[NA]A:213 |
1 |
1 |
125 |
f |
[AU]A:210 |
x,y,z |
1_555 |
1 |
1 |
118 |
5.8 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.006 |
39 |
41 |
|
[NA]A:213 |
1 |
1 |
125 |
◊ |
[NO3]A:204 |
-y,-x,-z-1/2 |
8_554 |
1 |
1 |
165 |
5.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
40 |
42 |
|
[AU]A:211 |
1 |
1 |
118 |
◊ |
[NO3]A:204 |
-x-1/2,y-1/2,-z-1/4 |
5_444 |
1 |
1 |
165 |
5.2 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
41 |
43 |
|
[NO3]A:201 |
3 |
1 |
164 |
◊ |
A |
y,x,-z-1 |
7_554 |
1 |
1 |
6551 |
4.2 |
0.1 |
0.873 |
0 |
0 |
0 |
0.000 |
|