## |
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 |
|
B |
87 |
30 |
12946 |
◊ |
A |
x,y,z |
1_555 |
89 |
30 |
12938 |
837.8 |
-7.7 |
0.235 |
11 |
3 |
0 |
0.111 |
2 |
2 |
|
A |
74 |
26 |
12938 |
◊ |
B |
-x+1/2,y-1/2,-z+3 |
3_548 |
66 |
14 |
12946 |
650.1 |
-6.5 |
0.264 |
5 |
3 |
0 |
0.008 |
3 |
3 |
|
A |
37 |
13 |
12938 |
x |
A |
x,y,z-1 |
1_554 |
48 |
18 |
12938 |
362.4 |
-1.7 |
0.521 |
4 |
0 |
0 |
0.000 |
4 |
|
B |
37 |
14 |
12946 |
x |
B |
x,y,z-1 |
1_554 |
36 |
14 |
12946 |
324.7 |
-2.3 |
0.446 |
2 |
0 |
0 |
0.000 |
Average: |
343.5 |
-2.0 |
0.484 |
3 |
0 |
0 |
0.000 |
4 |
5 |
|
[D45]B:301 |
25 |
1 |
595 |
f |
A |
x,y,z |
1_555 |
37 |
13 |
12938 |
270.8 |
1.6 |
0.348 |
0 |
0 |
0 |
0.000 |
5 |
6 |
|
[D45]B:301 |
26 |
1 |
595 |
◊ |
B |
x,y,z |
1_555 |
38 |
13 |
12946 |
268.7 |
1.8 |
0.357 |
0 |
0 |
0 |
0.000 |
6 |
7 |
|
A |
30 |
8 |
12938 |
◊ |
A |
-x+1,-y,z |
2_655 |
30 |
8 |
12938 |
234.3 |
-2.8 |
0.349 |
0 |
0 |
0 |
0.000 |
7 |
8 |
|
B |
31 |
11 |
12946 |
◊ |
A |
x-1/2,-y+1/2,-z+3 |
4_458 |
27 |
7 |
12938 |
201.3 |
0.2 |
0.666 |
4 |
2 |
0 |
0.000 |
8 |
9 |
|
B |
14 |
3 |
12946 |
x |
B |
x-1/2,-y+1/2,-z+3 |
4_458 |
17 |
6 |
12946 |
133.6 |
-1.2 |
0.443 |
0 |
0 |
0 |
0.000 |
9 |
10 |
|
[PEG]A:305 |
7 |
1 |
257 |
◊ |
A |
x,y,z |
1_555 |
16 |
7 |
12938 |
124.6 |
3.5 |
0.383 |
3 |
0 |
0 |
0.000 |
10 |
11 |
|
[GOL]A:308 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
12938 |
115.9 |
0.5 |
0.658 |
4 |
0 |
0 |
0.011 |
11 |
12 |
|
[SO4]B:302 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
20 |
10 |
12946 |
108.1 |
-15.6 |
0.848 |
5 |
0 |
0 |
0.152 |
12 |
13 |
|
[PEG]A:304 |
7 |
1 |
260 |
◊ |
A |
x,y,z |
1_555 |
16 |
7 |
12938 |
107.7 |
2.9 |
0.299 |
2 |
0 |
0 |
0.000 |
13 |
14 |
|
[SO4]A:301 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
12938 |
107.2 |
-15.2 |
0.857 |
6 |
0 |
0 |
0.151 |
14 |
15 |
|
[EDO]B:312 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
12946 |
105.8 |
2.9 |
0.429 |
3 |
0 |
0 |
0.000 |
15 |
16 |
|
[GOL]B:304 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
12946 |
104.3 |
0.8 |
0.641 |
3 |
0 |
0 |
0.005 |
16 |
17 |
|
A |
13 |
7 |
12938 |
◊ |
[GOL]A:309 |
x,y,z-1 |
1_554 |
5 |
1 |
218 |
102.5 |
-0.4 |
0.548 |
1 |
0 |
0 |
0.000 |
17 |
18 |
|
[GOL]A:306 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
12938 |
102.1 |
1.6 |
0.724 |
4 |
0 |
0 |
0.002 |
18 |
19 |
|
[SO4]A:303 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
12938 |
81.9 |
-10.8 |
0.844 |
1 |
0 |
0 |
0.095 |
19 |
20 |
|
[GOL]A:309 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
12938 |
79.7 |
-1.5 |
0.301 |
0 |
0 |
0 |
0.012 |
20 |
21 |
|
[ACT]B:310 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
12946 |
76.3 |
0.1 |
0.714 |
1 |
0 |
0 |
0.003 |
21 |
22 |
|
[GOL]A:307 |
6 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
12938 |
76.2 |
1.1 |
0.713 |
2 |
0 |
0 |
0.000 |
22 |
23 |
|
[EDO]A:313 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
12938 |
74.6 |
2.0 |
0.256 |
1 |
0 |
0 |
0.000 |
23 |
24 |
|
[ACT]B:309 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
12946 |
72.6 |
-0.7 |
0.622 |
1 |
0 |
0 |
0.010 |
24 |
25 |
|
[ACT]A:311 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
12938 |
64.3 |
-0.7 |
0.492 |
1 |
0 |
0 |
0.009 |
25 |
26 |
|
[CL]B:305 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
12946 |
63.1 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.073 |
26 |
27 |
|
[CL]B:307 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
12946 |
61.9 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.075 |
27 |
28 |
|
[SO4]B:303 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
12946 |
58.9 |
-6.8 |
0.901 |
2 |
0 |
0 |
0.065 |
28 |
29 |
|
[CL]A:310 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
12938 |
56.4 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.065 |
29 |
30 |
|
[SO4]A:302 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
12938 |
55.1 |
-6.7 |
0.780 |
1 |
0 |
0 |
0.061 |
30 |
31 |
|
[ACT]B:310 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
12938 |
52.0 |
0.6 |
0.807 |
1 |
0 |
0 |
0.000 |
31 |
32 |
|
[CL]B:306 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
12946 |
48.3 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.048 |
32 |
33 |
|
[SO4]A:303 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
12946 |
48.1 |
-4.5 |
0.957 |
2 |
0 |
0 |
0.046 |
33 |
34 |
|
[CL]B:308 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
12946 |
47.9 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.054 |
34 |
35 |
|
[EDO]A:313 |
3 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
4 |
1 |
12946 |
34.4 |
0.9 |
0.866 |
0 |
0 |
0 |
0.000 |
35 |
36 |
|
[ACT]B:309 |
3 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
12938 |
34.4 |
0.1 |
0.699 |
0 |
0 |
0 |
0.000 |
36 |
37 |
|
B |
5 |
2 |
12946 |
◊ |
A |
-x,-y,z |
2_555 |
4 |
3 |
12938 |
32.1 |
0.6 |
0.768 |
0 |
0 |
0 |
0.000 |
37 |
38 |
|
A |
2 |
1 |
12938 |
◊ |
[SO4]B:303 |
-x+1/2,y-1/2,-z+3 |
3_548 |
4 |
1 |
185 |
31.8 |
-3.1 |
0.953 |
1 |
0 |
0 |
0.003 |
38 |
39 |
|
A |
3 |
2 |
12938 |
◊ |
[SO4]A:302 |
x,y,z-1 |
1_554 |
4 |
1 |
185 |
31.8 |
-2.8 |
0.959 |
1 |
0 |
0 |
0.000 |
39 |
40 |
|
[ACT]A:311 |
2 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
12946 |
29.5 |
0.4 |
0.809 |
0 |
0 |
0 |
0.000 |
40 |
41 |
|
[PEG]A:304 |
4 |
1 |
260 |
f |
B |
-x+1/2,y-1/2,-z+3 |
3_548 |
3 |
1 |
12946 |
29.1 |
0.7 |
0.270 |
0 |
0 |
0 |
0.000 |
41 |
42 |
|
B |
2 |
1 |
12946 |
◊ |
[CL]B:306 |
x-1/2,-y+1/2,-z+3 |
4_458 |
1 |
1 |
125 |
24.0 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
43 |
|
B |
1 |
1 |
12946 |
◊ |
[ACT]A:311 |
x-1/2,-y+1/2,-z+3 |
4_458 |
3 |
1 |
183 |
15.2 |
-0.1 |
0.326 |
0 |
0 |
0 |
0.000 |
43 |
44 |
|
[CL]B:308 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
12938 |
11.2 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.009 |
44 |
45 |
|
[PEG]A:305 |
1 |
1 |
257 |
f |
B |
-x,-y,z |
2_555 |
3 |
2 |
12946 |
10.5 |
0.3 |
0.484 |
0 |
0 |
0 |
0.000 |
45 |
46 |
|
[GOL]A:306 |
1 |
1 |
221 |
f |
[SO4]A:301 |
x,y,z |
1_555 |
1 |
1 |
185 |
9.6 |
-1.1 |
0.632 |
0 |
0 |
0 |
0.009 |
46 |
47 |
|
A |
3 |
1 |
12938 |
◊ |
B |
-x+1/2,y-1/2,-z+2 |
3_547 |
1 |
1 |
12946 |
9.4 |
-0.1 |
0.403 |
0 |
0 |
0 |
0.000 |
47 |
48 |
|
[GOL]B:304 |
1 |
1 |
219 |
f |
[SO4]B:302 |
x,y,z |
1_555 |
1 |
1 |
185 |
8.2 |
-0.9 |
0.632 |
0 |
0 |
0 |
0.008 |
48 |
49 |
|
[EDO]B:312 |
1 |
1 |
185 |
◊ |
[CL]B:306 |
x-1/2,-y+1/2,-z+3 |
4_458 |
1 |
1 |
125 |
6.9 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
49 |
50 |
|
[EDO]B:312 |
3 |
1 |
185 |
◊ |
B |
x-1/2,-y+1/2,-z+3 |
4_458 |
1 |
1 |
12946 |
5.8 |
0.4 |
0.943 |
0 |
0 |
0 |
0.000 |
50 |
51 |
|
[ACT]B:310 |
1 |
1 |
182 |
f |
[SO4]A:303 |
x,y,z |
1_555 |
1 |
1 |
185 |
4.1 |
-0.5 |
0.707 |
0 |
0 |
0 |
0.004 |
51 |
52 |
|
[GOL]A:307 |
1 |
1 |
221 |
f |
A |
-x,-y,z |
2_555 |
1 |
1 |
12938 |
2.3 |
-0.1 |
0.471 |
0 |
0 |
0 |
0.000 |
52 |
53 |
|
A |
1 |
1 |
12938 |
◊ |
[CL]B:305 |
-x+1/2,y-1/2,-z+3 |
3_548 |
1 |
1 |
125 |
1.7 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
|