## |
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 |
|
C |
214 |
61 |
21395 |
x |
C |
-y+1,x-y+1,z |
3_665 |
271 |
77 |
21395 |
2281.2 |
-24.8 |
0.062 |
38 |
14 |
0 |
0.349 |
2 |
|
C |
205 |
51 |
21395 |
◊ |
B |
x,y,z |
1_555 |
191 |
44 |
7967 |
1759.1 |
-14.5 |
0.188 |
31 |
6 |
0 |
0.248 |
3 |
|
A |
141 |
35 |
6453 |
◊ |
C |
-y+1,x-y+1,z |
3_665 |
160 |
43 |
21395 |
1409.5 |
-11.1 |
0.459 |
33 |
9 |
0 |
0.277 |
4 |
|
B |
100 |
27 |
7967 |
◊ |
C |
-y+1,x-y+1,z |
3_665 |
93 |
27 |
21395 |
853.3 |
-3.7 |
0.332 |
12 |
9 |
0 |
0.061 |
5 |
|
C |
83 |
21 |
21395 |
◊ |
A |
x,y,z |
1_555 |
92 |
31 |
6453 |
799.7 |
-7.6 |
0.312 |
12 |
5 |
0 |
0.157 |
6 |
|
A |
63 |
14 |
6453 |
x |
A |
-y+1,x-y+1,z |
3_665 |
63 |
20 |
6453 |
605.6 |
-5.4 |
0.429 |
11 |
14 |
0 |
1.000 |
7 |
|
C |
51 |
14 |
21395 |
◊ |
C |
x,x-y+1,-z+1/2 |
12_565 |
51 |
14 |
21395 |
414.9 |
-1.1 |
0.635 |
6 |
0 |
0 |
0.020 |
8 |
|
B |
25 |
9 |
7967 |
◊ |
A |
x-y+1,-y+2,-z+1 |
7_676 |
28 |
8 |
6453 |
205.3 |
-2.1 |
0.468 |
1 |
1 |
0 |
0.000 |
9 |
|
B |
20 |
5 |
7967 |
◊ |
A |
x,y,z |
1_555 |
21 |
5 |
6453 |
202.1 |
-2.4 |
0.307 |
4 |
0 |
0 |
0.031 |
10 |
|
C |
22 |
5 |
21395 |
◊ |
A |
x-y+1,-y+2,-z+1 |
7_676 |
22 |
6 |
6453 |
198.6 |
-1.4 |
0.544 |
2 |
1 |
0 |
0.000 |
11 |
|
B |
15 |
4 |
7967 |
◊ |
B |
x-y+1,-y+2,-z+1 |
7_676 |
15 |
4 |
7967 |
151.2 |
0.0 |
0.600 |
4 |
2 |
0 |
0.000 |
12 |
|
C |
10 |
4 |
21395 |
◊ |
C |
-x+y,y,-z+1/2 |
10_555 |
10 |
4 |
21395 |
110.2 |
-0.8 |
0.393 |
1 |
0 |
0 |
0.000 |
13 |
|
[EDO]A:202 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
6453 |
101.7 |
3.3 |
0.529 |
2 |
0 |
0 |
0.000 |
14 |
|
[EDO]C:606 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
15 |
7 |
21395 |
97.5 |
3.6 |
0.555 |
5 |
0 |
0 |
0.000 |
15 |
|
[EDO]C:604 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
11 |
7 |
21395 |
96.9 |
3.2 |
0.522 |
3 |
0 |
0 |
0.000 |
16 |
|
[EDO]C:605 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
21395 |
93.0 |
2.7 |
0.310 |
5 |
0 |
0 |
0.000 |
17 |
|
[EDO]C:603 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
21395 |
92.5 |
3.1 |
0.456 |
1 |
0 |
0 |
0.000 |
18 |
|
[EDO]A:203 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
14 |
8 |
6453 |
85.1 |
3.3 |
0.532 |
2 |
0 |
0 |
0.000 |
19 |
|
[EDO]A:201 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
14 |
7 |
6453 |
84.5 |
2.2 |
0.453 |
1 |
0 |
0 |
0.000 |
20 |
|
[EDO]C:609 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
21395 |
84.2 |
3.1 |
0.513 |
0 |
0 |
0 |
0.000 |
21 |
|
[EDO]C:614 |
4 |
1 |
184 |
cf |
C |
x,y,z |
1_555 |
10 |
5 |
21395 |
76.8 |
2.9 |
0.630 |
0 |
0 |
0 |
0.000 |
22 |
|
C |
6 |
2 |
21395 |
◊ |
A |
-x+1,-x+y,-z+1 |
9_656 |
7 |
3 |
6453 |
76.5 |
-0.5 |
0.493 |
0 |
1 |
0 |
0.000 |
23 |
|
[EDO]C:611 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
21395 |
76.4 |
1.5 |
0.220 |
1 |
0 |
0 |
0.000 |
24 |
|
[SO4]C:615 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
14 |
4 |
21395 |
76.3 |
-9.7 |
0.850 |
1 |
0 |
0 |
0.116 |
25 |
|
[EDO]C:612 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
21395 |
75.9 |
2.4 |
0.893 |
2 |
0 |
0 |
0.000 |
26 |
|
[SO4]C:616 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
21395 |
75.6 |
-11.1 |
0.648 |
2 |
0 |
0 |
0.137 |
27 |
|
[2PA]C:619 |
5 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
18 |
12 |
21395 |
74.3 |
-2.5 |
0.015 |
7 |
0 |
0 |
0.064 |
28 |
|
[SO4]C:618 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
4 |
3 |
21395 |
71.7 |
-16.9 |
0.183 |
0 |
0 |
0 |
0.193 |
29 |
|
[EDO]C:607 |
3 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
21395 |
68.2 |
1.9 |
0.549 |
2 |
0 |
0 |
0.000 |
30 |
|
[EDO]A:201 |
4 |
1 |
184 |
f |
C |
-y+1,x-y+1,z |
3_665 |
7 |
3 |
21395 |
66.5 |
1.8 |
0.867 |
2 |
0 |
0 |
0.000 |
31 |
|
[EDO]C:610 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
21395 |
65.7 |
1.9 |
0.276 |
0 |
0 |
0 |
0.000 |
32 |
|
[EDO]C:613 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
21395 |
64.9 |
1.8 |
0.887 |
1 |
0 |
0 |
0.000 |
33 |
|
C |
6 |
2 |
21395 |
◊ |
C |
-y+1,-x+1,-z+1/2 |
8_665 |
6 |
2 |
21395 |
64.2 |
-1.1 |
0.276 |
0 |
0 |
0 |
0.000 |
34 |
|
C |
5 |
2 |
21395 |
◊ |
C |
y,x,-z+1 |
11_556 |
5 |
2 |
21395 |
61.4 |
1.9 |
0.936 |
2 |
4 |
0 |
0.000 |
35 |
|
[SO4]B:201 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
7967 |
60.7 |
-7.5 |
0.892 |
2 |
0 |
0 |
0.109 |
36 |
|
B |
7 |
4 |
7967 |
f |
[EDO]C:610 |
-y+1,x-y+1,z |
3_665 |
4 |
1 |
185 |
59.2 |
1.5 |
0.772 |
2 |
0 |
0 |
0.000 |
37 |
|
[SO4]C:617 |
5 |
1 |
187 |
f |
C |
x,x-y+1,-z+1/2 |
12_565 |
11 |
5 |
21395 |
54.7 |
-7.9 |
0.668 |
1 |
0 |
0 |
0.095 |
38 |
|
[EDO]C:608 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
21395 |
53.1 |
1.1 |
0.869 |
3 |
0 |
0 |
0.003 |
39 |
|
B |
6 |
3 |
7967 |
◊ |
[EDO]C:611 |
-y+1,x-y+1,z |
3_665 |
2 |
1 |
184 |
48.4 |
1.7 |
0.597 |
1 |
0 |
0 |
0.000 |
40 |
|
[EDO]C:607 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
7967 |
48.1 |
0.8 |
0.131 |
0 |
0 |
0 |
0.000 |
41 |
|
[SO4]C:620 |
4 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
21395 |
46.6 |
-5.1 |
0.924 |
1 |
0 |
0 |
0.063 |
42 |
|
[SO4]C:620 |
4 |
1 |
187 |
◊ |
C |
x,x-y+1,-z+1/2 |
12_565 |
7 |
3 |
21395 |
46.3 |
-5.0 |
0.923 |
1 |
0 |
0 |
0.057 |
43 |
|
[EDO]C:613 |
3 |
1 |
185 |
◊ |
C |
-y+1,-x+1,-z+1/2 |
8_665 |
6 |
2 |
21395 |
42.6 |
0.8 |
0.640 |
0 |
0 |
0 |
0.000 |
44 |
|
[SO4]C:615 |
4 |
1 |
186 |
◊ |
C |
-y+1,x-y+1,z |
3_665 |
5 |
3 |
21395 |
40.2 |
-5.2 |
0.391 |
0 |
0 |
0 |
0.042 |
45 |
|
[SO4]C:615 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
7967 |
39.2 |
-4.9 |
0.725 |
0 |
0 |
0 |
0.042 |
46 |
|
[NI]C:602 |
1 |
1 |
115 |
f |
C |
x,y,z |
1_555 |
11 |
8 |
21395 |
36.7 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.095 |
47 |
|
[EDO]C:606 |
3 |
1 |
186 |
f |
C |
x,x-y+1,-z+1/2 |
12_565 |
5 |
1 |
21395 |
36.6 |
0.6 |
0.728 |
1 |
0 |
0 |
0.000 |
48 |
|
[EDO]A:203 |
3 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
5 |
4 |
21395 |
36.3 |
1.3 |
0.934 |
0 |
0 |
0 |
0.000 |
49 |
|
[NI]C:601 |
1 |
1 |
115 |
f |
C |
x,y,z |
1_555 |
11 |
8 |
21395 |
35.2 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.094 |
50 |
|
[EDO]C:609 |
3 |
1 |
184 |
◊ |
C |
x,x-y+1,-z+1/2 |
12_565 |
2 |
1 |
21395 |
34.5 |
1.1 |
0.957 |
1 |
0 |
0 |
0.000 |
51 |
|
C |
3 |
1 |
21395 |
◊ |
[EDO]C:605 |
-y+1,x-y+1,z |
3_665 |
3 |
1 |
183 |
34.0 |
0.6 |
0.347 |
0 |
0 |
0 |
0.000 |
52 |
|
C |
7 |
3 |
21395 |
◊ |
[EDO]C:614 |
-y+1,x-y+1,z |
3_665 |
3 |
1 |
184 |
29.3 |
0.3 |
0.750 |
1 |
0 |
0 |
0.001 |
53 |
|
A |
3 |
1 |
6453 |
f |
[EDO]A:203 |
-y+1,x-y+1,z |
3_665 |
4 |
1 |
183 |
28.4 |
0.7 |
0.742 |
0 |
0 |
0 |
0.000 |
54 |
|
[2PA]C:619 |
3 |
1 |
206 |
f |
[NI]C:602 |
x,y,z |
1_555 |
1 |
1 |
115 |
28.3 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.036 |
55 |
|
[2PA]C:619 |
4 |
1 |
206 |
f |
[SO4]C:618 |
x,y,z |
1_555 |
3 |
1 |
187 |
27.9 |
-3.4 |
0.276 |
1 |
0 |
0 |
0.044 |
56 |
|
[2PA]C:619 |
4 |
1 |
206 |
f |
[NI]C:601 |
x,y,z |
1_555 |
1 |
1 |
115 |
27.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.032 |
57 |
|
[EDO]C:607 |
2 |
1 |
183 |
◊ |
C |
-y+1,x-y+1,z |
3_665 |
4 |
2 |
21395 |
22.9 |
0.4 |
0.514 |
0 |
0 |
0 |
0.000 |
58 |
|
B |
1 |
1 |
7967 |
◊ |
[EDO]C:614 |
-y+1,x-y+1,z |
3_665 |
3 |
1 |
184 |
22.4 |
0.9 |
0.955 |
0 |
0 |
0 |
0.000 |
59 |
|
[SO4]C:615 |
3 |
1 |
186 |
f |
[EDO]C:607 |
x,y,z |
1_555 |
1 |
1 |
183 |
19.4 |
-1.2 |
0.704 |
0 |
0 |
0 |
0.014 |
60 |
|
[SO4]C:617 |
2 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
21395 |
18.8 |
-2.0 |
0.928 |
1 |
0 |
0 |
0.026 |
61 |
|
B |
2 |
1 |
7967 |
f |
[EDO]C:604 |
-y+1,x-y+1,z |
3_665 |
1 |
1 |
183 |
18.5 |
0.6 |
0.928 |
1 |
0 |
0 |
0.000 |
62 |
|
C |
4 |
1 |
21395 |
◊ |
[EDO]C:613 |
-y+1,x-y+1,z |
3_665 |
2 |
1 |
185 |
17.5 |
0.5 |
0.774 |
0 |
0 |
0 |
0.000 |
63 |
|
[EDO]C:609 |
2 |
1 |
184 |
◊ |
[EDO]C:606 |
x,y,z |
1_555 |
1 |
1 |
186 |
13.6 |
0.6 |
1.000 |
0 |
0 |
0 |
0.000 |
64 |
|
[NI]C:602 |
1 |
1 |
115 |
f |
[NI]C:601 |
x,y,z |
1_555 |
1 |
1 |
115 |
13.0 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.030 |
65 |
|
[NI]C:601 |
1 |
1 |
115 |
f |
[SO4]C:618 |
x,y,z |
1_555 |
3 |
1 |
187 |
8.2 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.020 |
66 |
|
C |
1 |
1 |
21395 |
◊ |
[SO4]C:618 |
-y+1,x-y+1,z |
3_665 |
2 |
1 |
187 |
4.5 |
-0.5 |
0.518 |
0 |
0 |
0 |
0.004 |
67 |
|
[EDO]C:613 |
1 |
1 |
185 |
f |
[EDO]C:613 |
-y+1,-x+1,-z+1/2 |
8_665 |
1 |
1 |
185 |
2.2 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
|