## |
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 |
|
A |
74 |
23 |
12288 |
◊ |
A |
-y+1,-x+1,-z-1/6 |
7_664 |
75 |
24 |
12288 |
654.0 |
0.2 |
0.618 |
10 |
0 |
0 |
0.000 |
2 |
|
A |
54 |
16 |
12288 |
x |
A |
x-y,-y+1,-z |
8_565 |
54 |
16 |
12288 |
479.2 |
-1.4 |
0.462 |
7 |
3 |
0 |
0.000 |
3 |
|
A |
33 |
15 |
12288 |
x |
A |
x-y,x,z+1/6 |
2_555 |
26 |
11 |
12288 |
249.0 |
0.4 |
0.596 |
2 |
0 |
0 |
0.000 |
4 |
|
A |
19 |
8 |
12288 |
◊ |
A |
x,x-y,-z+1/6 |
9_555 |
21 |
8 |
12288 |
192.2 |
-1.2 |
0.369 |
4 |
0 |
0 |
0.000 |
5 |
|
[EDO]A:418 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
26 |
12 |
12288 |
118.8 |
2.5 |
0.271 |
5 |
0 |
0 |
0.000 |
6 |
|
[EDO]A:419 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
25 |
10 |
12288 |
111.8 |
3.2 |
0.438 |
2 |
0 |
0 |
0.000 |
7 |
|
A |
11 |
6 |
12288 |
◊ |
A |
-x,-x+y,-z-1/3 |
12_554 |
11 |
6 |
12288 |
109.0 |
-1.0 |
0.330 |
0 |
0 |
0 |
0.000 |
8 |
|
[EDO]A:416 |
4 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
19 |
13 |
12288 |
105.5 |
3.4 |
0.445 |
2 |
0 |
0 |
0.000 |
9 |
|
A |
11 |
4 |
12288 |
◊ |
A |
y,x,-z+1/3 |
10_555 |
11 |
4 |
12288 |
104.2 |
1.5 |
0.842 |
0 |
0 |
0 |
0.000 |
10 |
|
[EDO]A:412 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
20 |
7 |
12288 |
101.2 |
3.2 |
0.414 |
1 |
0 |
0 |
0.000 |
11 |
|
[EDO]A:409 |
4 |
1 |
192 |
f |
A |
x-y,-y+1,-z |
8_565 |
17 |
7 |
12288 |
96.5 |
2.7 |
0.430 |
2 |
0 |
0 |
0.000 |
12 |
|
[EDO]A:413 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
12288 |
92.4 |
2.3 |
0.363 |
1 |
0 |
0 |
0.000 |
13 |
|
[EDO]A:410 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
12288 |
89.3 |
2.7 |
0.305 |
4 |
0 |
0 |
0.000 |
14 |
|
[EDO]A:417 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
12288 |
81.2 |
2.8 |
0.446 |
0 |
0 |
0 |
0.000 |
15 |
|
[EDO]A:411 |
4 |
1 |
178 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
12288 |
75.9 |
1.7 |
0.227 |
0 |
0 |
0 |
0.000 |
16 |
|
[EDO]A:414 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
12288 |
72.7 |
1.7 |
0.753 |
2 |
0 |
0 |
0.000 |
17 |
|
[H2S]A:408 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
12288 |
64.8 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.007 |
18 |
|
[EDO]A:415 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
12288 |
63.9 |
1.7 |
0.773 |
0 |
0 |
0 |
0.000 |
19 |
|
A |
10 |
5 |
12288 |
f |
[EDO]A:417 |
x-y,-y+1,-z |
8_565 |
4 |
1 |
185 |
63.6 |
1.6 |
0.678 |
3 |
0 |
0 |
0.000 |
20 |
|
[H2S]A:407 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
12288 |
59.6 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.005 |
21 |
|
[EDO]A:409 |
4 |
1 |
192 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
12288 |
51.7 |
1.9 |
0.956 |
0 |
0 |
0 |
0.000 |
22 |
|
[EDO]A:410 |
4 |
1 |
186 |
◊ |
A |
x-y,-y+1,-z |
8_565 |
7 |
2 |
12288 |
51.2 |
1.1 |
0.494 |
0 |
0 |
0 |
0.000 |
23 |
|
[EDO]A:411 |
4 |
1 |
178 |
f |
A |
x-y,-y+1,-z |
8_565 |
9 |
2 |
12288 |
48.3 |
0.3 |
0.483 |
0 |
0 |
0 |
0.000 |
24 |
|
[EDO]A:414 |
2 |
1 |
185 |
◊ |
A |
-y+1,-x+1,-z-1/6 |
7_664 |
7 |
5 |
12288 |
44.5 |
1.5 |
0.507 |
0 |
0 |
0 |
0.000 |
25 |
|
[EDO]A:413 |
4 |
1 |
182 |
◊ |
A |
x-y,x,z+1/6 |
2_555 |
5 |
2 |
12288 |
42.9 |
1.2 |
0.940 |
2 |
0 |
0 |
0.000 |
26 |
|
[CA]A:403 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
12288 |
42.6 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.018 |
27 |
|
[CA]A:401 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
5 |
12288 |
37.9 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.020 |
28 |
|
[CA]A:402 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
12288 |
36.5 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.019 |
29 |
|
[CA]A:404 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
6 |
12288 |
35.6 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.017 |
30 |
|
[EDO]A:414 |
2 |
1 |
185 |
◊ |
[EDO]A:412 |
x,y,z |
1_555 |
4 |
1 |
185 |
34.8 |
1.5 |
1.000 |
1 |
0 |
0 |
0.000 |
31 |
|
[CA]A:405 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
12288 |
34.6 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.011 |
32 |
|
[EDO]A:416 |
3 |
1 |
188 |
f |
[CA]A:404 |
x,y,z |
1_555 |
1 |
1 |
85 |
22.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.005 |
33 |
|
[EDO]A:415 |
1 |
1 |
186 |
f |
[EDO]A:413 |
x,y,z |
1_555 |
2 |
1 |
182 |
19.4 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
34 |
|
[EDO]A:418 |
3 |
1 |
186 |
f |
[ZN]A:406 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.1 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.014 |
35 |
|
[EDO]A:412 |
2 |
1 |
185 |
f |
A |
-y+1,-x+1,-z-1/6 |
7_664 |
4 |
2 |
12288 |
16.0 |
0.2 |
0.792 |
0 |
0 |
0 |
0.000 |
36 |
|
[H2S]A:407 |
1 |
1 |
133 |
◊ |
A |
x-y,x,z+1/6 |
2_555 |
3 |
1 |
12288 |
14.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
37 |
|
[EDO]A:414 |
2 |
1 |
185 |
f |
[EDO]A:414 |
-y+1,-x+1,-z-1/6 |
7_664 |
2 |
1 |
185 |
9.9 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
38 |
|
[CA]A:402 |
1 |
1 |
85 |
f |
[CA]A:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
9.5 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.005 |
39 |
|
[EDO]A:415 |
2 |
1 |
186 |
f |
[CA]A:402 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.002 |
40 |
|
[EDO]A:415 |
1 |
1 |
186 |
◊ |
A |
x-y,x,z+1/6 |
2_555 |
2 |
2 |
12288 |
5.4 |
0.3 |
0.837 |
0 |
0 |
0 |
0.000 |
41 |
|
[EDO]A:413 |
2 |
1 |
182 |
f |
[CA]A:402 |
x,y,z |
1_555 |
1 |
1 |
85 |
2.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
|