## |
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 |
|
B |
179 |
43 |
11683 |
◊ |
A |
x,y,z |
1_555 |
181 |
52 |
17947 |
1723.3 |
-7.9 |
0.529 |
34 |
20 |
0 |
0.242 |
2 |
|
B |
159 |
40 |
11683 |
x |
B |
-y+1,x-y+1,z |
2_665 |
145 |
39 |
11683 |
1471.5 |
-15.2 |
0.148 |
14 |
3 |
0 |
0.572 |
3 |
|
A |
142 |
35 |
17947 |
x |
A |
-y+1,x-y+1,z |
2_665 |
142 |
39 |
17947 |
1390.5 |
-10.8 |
0.286 |
23 |
7 |
0 |
0.449 |
4 |
|
A |
60 |
19 |
17947 |
◊ |
A |
x-y+1/3,-y+2/3,-z+2/3 |
17_555 |
60 |
19 |
17947 |
554.1 |
-11.1 |
0.027 |
0 |
0 |
0 |
0.000 |
5 |
|
A |
27 |
11 |
17947 |
◊ |
A |
y,x,-z+1 |
4_556 |
25 |
11 |
17947 |
240.8 |
-1.8 |
0.450 |
2 |
0 |
0 |
0.016 |
6 |
|
[AN3]A:801 |
14 |
1 |
342 |
f |
A |
x,y,z |
1_555 |
38 |
17 |
17947 |
234.2 |
4.8 |
0.157 |
0 |
0 |
0 |
0.000 |
7 |
|
B |
20 |
7 |
11683 |
◊ |
B |
-x+2/3,-x+y+1/3,-z+1/3 |
12_555 |
20 |
7 |
11683 |
187.6 |
-0.2 |
0.635 |
2 |
0 |
0 |
0.011 |
8 |
|
B |
18 |
5 |
11683 |
◊ |
B |
x-y+2/3,-y+4/3,-z+1/3 |
11_565 |
18 |
5 |
11683 |
167.4 |
-3.1 |
0.196 |
5 |
0 |
0 |
0.057 |
9 |
|
A |
15 |
7 |
17947 |
◊ |
B |
-y+1,x-y+1,z |
2_665 |
24 |
6 |
11683 |
158.6 |
-1.0 |
0.456 |
1 |
0 |
0 |
0.013 |
10 |
|
[EDO]B:802 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
27 |
8 |
11683 |
122.0 |
3.8 |
0.656 |
4 |
0 |
0 |
0.000 |
11 |
|
[FES]A:829 |
4 |
1 |
234 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
17947 |
120.9 |
-16.0 |
0.643 |
2 |
0 |
0 |
0.344 |
12 |
|
[EDO]A:821 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
17947 |
110.4 |
3.9 |
0.708 |
1 |
0 |
0 |
0.000 |
13 |
|
[SO4]B:807 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
11683 |
110.1 |
-15.5 |
0.803 |
4 |
0 |
0 |
0.451 |
14 |
|
[EDO]A:819 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
17947 |
104.5 |
2.9 |
0.413 |
1 |
0 |
0 |
0.000 |
15 |
|
[EDO]B:804 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
17 |
8 |
11683 |
103.1 |
3.5 |
0.701 |
4 |
0 |
0 |
0.000 |
16 |
|
[EDO]A:811 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
21 |
10 |
17947 |
101.8 |
2.8 |
0.633 |
3 |
0 |
0 |
0.000 |
17 |
|
[EDO]A:817 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
17947 |
101.3 |
2.8 |
0.437 |
1 |
0 |
0 |
0.000 |
18 |
|
[EDO]B:823 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
11683 |
101.0 |
3.5 |
0.469 |
3 |
0 |
0 |
0.000 |
19 |
|
[EDO]A:820 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
17947 |
99.8 |
3.2 |
0.487 |
3 |
0 |
0 |
0.000 |
20 |
|
[EDO]A:824 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
17947 |
99.5 |
2.7 |
0.437 |
1 |
0 |
0 |
0.000 |
21 |
|
[EDO]B:809 |
4 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
11683 |
93.1 |
2.2 |
0.282 |
5 |
0 |
0 |
0.001 |
22 |
|
[EDO]B:825 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
17947 |
89.8 |
2.4 |
0.384 |
0 |
0 |
0 |
0.000 |
23 |
|
[EDO]A:826 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
20 |
8 |
17947 |
89.8 |
2.8 |
0.678 |
5 |
0 |
0 |
0.000 |
24 |
|
[EDO]B:818 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
11683 |
89.1 |
2.7 |
0.532 |
4 |
0 |
0 |
0.000 |
25 |
|
[SO4]A:828 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
17947 |
88.8 |
-13.3 |
0.810 |
4 |
0 |
0 |
0.308 |
26 |
|
[SO4]A:810 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
17947 |
84.8 |
-11.1 |
0.788 |
1 |
0 |
0 |
0.236 |
27 |
|
[EDO]A:815 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
17947 |
82.0 |
2.1 |
0.284 |
1 |
0 |
0 |
0.000 |
28 |
|
[EDO]B:816 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
11683 |
81.8 |
2.1 |
0.280 |
2 |
0 |
0 |
0.000 |
29 |
|
[EDO]A:805 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
11683 |
77.5 |
1.9 |
0.212 |
2 |
0 |
0 |
0.000 |
30 |
|
[EDO]A:812 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
17947 |
76.9 |
2.3 |
0.414 |
0 |
0 |
0 |
0.000 |
31 |
|
[EDO]A:822 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
17947 |
76.5 |
2.0 |
0.851 |
2 |
0 |
0 |
0.000 |
32 |
|
[EDO]A:827 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
17947 |
75.6 |
2.8 |
0.565 |
1 |
0 |
0 |
0.000 |
33 |
|
A |
16 |
7 |
17947 |
f |
[EDO]A:827 |
-y+1,x-y+1,z |
2_665 |
4 |
1 |
185 |
73.1 |
1.7 |
0.257 |
0 |
0 |
0 |
0.000 |
34 |
|
[EDO]A:808 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
17947 |
69.0 |
1.3 |
0.205 |
1 |
0 |
0 |
0.000 |
35 |
|
B |
7 |
3 |
11683 |
◊ |
A |
x-y+1/3,-y+2/3,-z+2/3 |
17_555 |
8 |
3 |
17947 |
68.7 |
-0.8 |
0.359 |
1 |
0 |
0 |
0.015 |
36 |
|
[EDO]B:816 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
17947 |
67.9 |
1.9 |
0.233 |
1 |
0 |
0 |
0.000 |
37 |
|
B |
5 |
2 |
11683 |
◊ |
A |
y-2/3,x-1/3,-z+2/3 |
16_445 |
6 |
2 |
17947 |
62.6 |
0.2 |
0.675 |
0 |
2 |
0 |
0.000 |
38 |
|
B |
8 |
5 |
11683 |
◊ |
[EDO]B:818 |
-y+1,x-y+1,z |
2_665 |
4 |
1 |
185 |
62.2 |
1.8 |
0.878 |
0 |
0 |
0 |
0.000 |
39 |
|
A |
10 |
4 |
17947 |
◊ |
[EDO]B:813 |
-y+1,x-y+1,z |
2_665 |
4 |
1 |
184 |
62.1 |
1.5 |
0.231 |
0 |
0 |
0 |
0.000 |
40 |
|
[FE]A:450 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
17947 |
60.4 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.243 |
41 |
|
[SO4]B:806 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
11683 |
58.4 |
-6.9 |
0.910 |
2 |
0 |
0 |
0.204 |
42 |
|
[EDO]B:803 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
17947 |
58.3 |
1.8 |
0.878 |
0 |
0 |
0 |
0.000 |
43 |
|
[EDO]A:805 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
17947 |
52.6 |
1.2 |
0.238 |
1 |
0 |
0 |
0.000 |
44 |
|
[EDO]B:803 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
11683 |
52.0 |
1.3 |
0.900 |
2 |
0 |
0 |
0.000 |
45 |
|
[EDO]A:814 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
9 |
2 |
17947 |
51.7 |
0.8 |
0.742 |
1 |
0 |
0 |
0.000 |
46 |
|
[EDO]B:813 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
6 |
1 |
11683 |
51.3 |
1.0 |
0.850 |
1 |
0 |
0 |
0.000 |
47 |
|
[EDO]A:812 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
11683 |
50.4 |
1.3 |
0.890 |
1 |
0 |
0 |
0.000 |
48 |
|
[EDO]A:826 |
4 |
1 |
185 |
f |
A |
-y+1,x-y+1,z |
2_665 |
8 |
2 |
17947 |
49.5 |
0.5 |
0.592 |
1 |
0 |
0 |
0.000 |
49 |
|
B |
4 |
2 |
11683 |
◊ |
A |
-x+4/3,-x+y+2/3,-z+2/3 |
18_655 |
6 |
2 |
17947 |
49.4 |
0.8 |
0.836 |
1 |
1 |
0 |
0.000 |
50 |
|
[EDO]A:811 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
11683 |
41.6 |
1.6 |
0.964 |
2 |
0 |
0 |
0.000 |
51 |
|
[EDO]B:813 |
2 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
17947 |
39.9 |
0.5 |
0.310 |
0 |
0 |
0 |
0.000 |
52 |
|
[EDO]A:808 |
3 |
1 |
185 |
◊ |
A |
-y+1,x-y+1,z |
2_665 |
4 |
1 |
17947 |
35.7 |
1.1 |
0.773 |
0 |
0 |
0 |
0.000 |
53 |
|
[EDO]B:823 |
2 |
1 |
182 |
f |
[SO4]B:807 |
x,y,z |
1_555 |
4 |
1 |
184 |
32.7 |
-3.3 |
0.999 |
1 |
0 |
0 |
0.097 |
54 |
|
[EDO]B:825 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
11683 |
30.9 |
1.0 |
0.933 |
1 |
0 |
0 |
0.000 |
55 |
|
A |
3 |
2 |
17947 |
f |
[EDO]A:815 |
-y+1,x-y+1,z |
2_665 |
2 |
1 |
185 |
27.1 |
1.0 |
0.968 |
1 |
0 |
0 |
0.000 |
56 |
|
[EDO]B:825 |
3 |
1 |
184 |
f |
[EDO]A:812 |
x,y,z |
1_555 |
3 |
1 |
183 |
27.0 |
1.6 |
1.000 |
0 |
0 |
0 |
0.000 |
57 |
|
[AN3]A:801 |
5 |
1 |
342 |
f |
[FE]A:450 |
x,y,z |
1_555 |
1 |
1 |
137 |
25.1 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.035 |
58 |
|
[EDO]B:804 |
3 |
1 |
184 |
f |
[EDO]B:818 |
-y+1,x-y+1,z |
2_665 |
2 |
1 |
185 |
24.5 |
0.7 |
1.000 |
1 |
0 |
0 |
0.000 |
59 |
|
[EDO]A:822 |
2 |
1 |
185 |
f |
[EDO]A:821 |
x,y,z |
1_555 |
3 |
1 |
184 |
21.3 |
0.6 |
1.000 |
0 |
0 |
0 |
0.000 |
60 |
|
[EDO]B:804 |
3 |
1 |
184 |
◊ |
B |
-y+1,x-y+1,z |
2_665 |
1 |
1 |
11683 |
16.3 |
0.6 |
0.968 |
0 |
0 |
0 |
0.000 |
61 |
|
[EDO]B:809 |
2 |
1 |
188 |
f |
[EDO]A:812 |
x,y,z |
1_555 |
2 |
1 |
183 |
16.1 |
0.7 |
1.000 |
0 |
0 |
0 |
0.000 |
62 |
|
[EDO]B:809 |
3 |
1 |
188 |
f |
[SO4]B:806 |
x,y,z |
1_555 |
1 |
1 |
186 |
12.3 |
-1.2 |
0.894 |
0 |
0 |
0 |
0.031 |
63 |
|
A |
1 |
1 |
17947 |
f |
[EDO]A:814 |
-y+1,x-y+1,z |
2_665 |
1 |
1 |
184 |
6.2 |
0.3 |
0.898 |
0 |
0 |
0 |
0.000 |
64 |
|
[FES]A:829 |
2 |
1 |
234 |
◊ |
A |
-y+1,x-y+1,z |
2_665 |
2 |
1 |
17947 |
5.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.011 |
65 |
|
[EDO]B:802 |
1 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
17947 |
3.2 |
-0.0 |
0.612 |
0 |
0 |
0 |
0.000 |
66 |
|
A |
1 |
1 |
17947 |
◊ |
[FE]A:450 |
-y+1,x-y+1,z |
2_665 |
1 |
1 |
137 |
1.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
67 |
|
[SO4]A:810 |
1 |
1 |
186 |
◊ |
A |
y,x,-z+1 |
4_556 |
1 |
1 |
17947 |
0.7 |
-0.1 |
0.832 |
0 |
0 |
0 |
0.000 |
68 |
|
[EDO]B:809 |
1 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
17947 |
0.3 |
-0.0 |
0.763 |
0 |
0 |
0 |
0.000 |
|