## |
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 |
91 |
29 |
13104 |
◊ |
A |
x,y,z |
1_555 |
90 |
30 |
12681 |
890.7 |
-8.3 |
0.248 |
11 |
4 |
0 |
0.116 |
2 |
|
A |
39 |
12 |
12681 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
46 |
18 |
13104 |
412.7 |
0.2 |
0.674 |
0 |
5 |
0 |
0.000 |
3 |
|
A |
46 |
18 |
12681 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
35 |
8 |
13104 |
389.5 |
0.1 |
0.664 |
2 |
4 |
0 |
0.000 |
4 |
|
[5XP]A:304 |
26 |
1 |
557 |
f |
A |
x,y,z |
1_555 |
61 |
24 |
12681 |
374.4 |
-5.5 |
0.483 |
8 |
0 |
0 |
0.076 |
5 |
|
B |
44 |
13 |
13104 |
◊ |
A |
x-1,y,z |
1_455 |
35 |
11 |
12681 |
337.1 |
-2.5 |
0.430 |
1 |
1 |
0 |
0.000 |
6 |
|
B |
30 |
12 |
13104 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
25 |
8 |
12681 |
249.7 |
-1.3 |
0.489 |
0 |
0 |
0 |
0.000 |
7 |
|
A |
29 |
14 |
12681 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
27 |
11 |
13104 |
207.4 |
0.3 |
0.671 |
0 |
1 |
0 |
0.000 |
8 |
|
[SO4]B:302 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
23 |
9 |
13104 |
127.1 |
-17.9 |
0.698 |
2 |
0 |
0 |
0.158 |
9 |
|
[SO4]A:302 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
19 |
10 |
12681 |
106.8 |
-16.1 |
0.760 |
4 |
0 |
0 |
0.150 |
10 |
|
[EDO]B:309 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
13104 |
103.9 |
2.6 |
0.425 |
1 |
0 |
0 |
0.000 |
11 |
|
[EDO]A:308 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
12 |
3 |
12681 |
91.9 |
3.0 |
0.518 |
0 |
0 |
0 |
0.000 |
12 |
|
[GOL]B:305 |
6 |
1 |
217 |
f |
A |
-x-1/2,-y,z-1/2 |
2_454 |
14 |
4 |
12681 |
89.3 |
-1.6 |
0.337 |
0 |
0 |
0 |
0.014 |
13 |
|
[SO4]B:303 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
13104 |
87.3 |
-11.7 |
0.891 |
4 |
0 |
0 |
0.113 |
14 |
|
[EDO]A:309 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
12681 |
87.1 |
3.2 |
0.317 |
0 |
0 |
0 |
0.000 |
15 |
|
[SO4]A:301 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
12681 |
82.4 |
-11.4 |
0.767 |
1 |
0 |
0 |
0.099 |
16 |
|
[GOL]B:305 |
5 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
13104 |
75.9 |
0.7 |
0.679 |
1 |
0 |
0 |
0.000 |
17 |
|
[ACT]B:308 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
13104 |
74.2 |
0.2 |
0.741 |
1 |
0 |
0 |
0.002 |
18 |
|
[GOL]A:305 |
4 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
13104 |
71.5 |
-0.6 |
0.426 |
0 |
0 |
0 |
0.005 |
19 |
|
[EDO]A:307 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
12681 |
68.2 |
1.5 |
0.819 |
0 |
0 |
0 |
0.000 |
20 |
|
[EDO]A:310 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
12681 |
68.1 |
2.9 |
0.932 |
0 |
0 |
0 |
0.000 |
21 |
|
[ACT]B:306 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
13104 |
65.9 |
0.2 |
0.755 |
0 |
0 |
0 |
0.000 |
22 |
|
[EDO]B:310 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
12681 |
64.7 |
1.6 |
0.268 |
1 |
0 |
0 |
0.000 |
23 |
|
[EDO]A:311 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
12681 |
64.6 |
1.4 |
0.243 |
0 |
0 |
0 |
0.000 |
24 |
|
[LI]B:301 |
1 |
1 |
130 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
13104 |
64.6 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.046 |
25 |
|
[SO4]A:303 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
12681 |
62.6 |
-6.8 |
0.959 |
3 |
0 |
0 |
0.069 |
26 |
|
[SO4]B:304 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
13104 |
62.3 |
-8.1 |
0.763 |
1 |
0 |
0 |
0.072 |
27 |
|
[GOL]A:305 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
12681 |
61.3 |
0.5 |
0.675 |
1 |
0 |
0 |
0.000 |
28 |
|
[EDO]A:311 |
4 |
1 |
185 |
f |
B |
-x-1/2,-y,z-1/2 |
2_454 |
11 |
2 |
13104 |
56.7 |
0.7 |
0.557 |
0 |
0 |
0 |
0.000 |
29 |
|
[ACT]B:307 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
13104 |
54.1 |
0.1 |
0.581 |
1 |
0 |
0 |
0.003 |
30 |
|
[ACT]A:306 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
12681 |
52.3 |
-0.1 |
0.555 |
1 |
0 |
0 |
0.005 |
31 |
|
[LI]A:312 |
1 |
1 |
130 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
12681 |
49.0 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.018 |
32 |
|
[EDO]A:309 |
4 |
1 |
184 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
6 |
3 |
13104 |
45.3 |
0.9 |
0.802 |
0 |
0 |
0 |
0.000 |
33 |
|
[LI]A:312 |
1 |
1 |
130 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
13104 |
40.2 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.018 |
34 |
|
A |
3 |
2 |
12681 |
◊ |
[SO4]B:303 |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
186 |
39.0 |
-4.1 |
0.913 |
0 |
0 |
0 |
0.000 |
35 |
|
[EDO]B:310 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
4 |
1 |
13104 |
37.3 |
0.9 |
0.808 |
1 |
0 |
0 |
0.000 |
36 |
|
[ACT]B:306 |
3 |
1 |
183 |
f |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
5 |
1 |
13104 |
32.6 |
0.1 |
0.677 |
0 |
0 |
0 |
0.000 |
37 |
|
[SO4]A:301 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
13104 |
32.6 |
-4.1 |
0.561 |
1 |
0 |
0 |
0.038 |
38 |
|
[EDO]A:307 |
3 |
1 |
184 |
f |
[5XP]A:304 |
x,y,z |
1_555 |
1 |
1 |
557 |
27.3 |
0.4 |
0.809 |
1 |
0 |
0 |
0.000 |
39 |
|
[ACT]B:308 |
2 |
1 |
183 |
◊ |
A |
x-1,y,z |
1_455 |
4 |
2 |
12681 |
22.1 |
0.3 |
0.722 |
0 |
0 |
0 |
0.000 |
40 |
|
[ACT]A:306 |
1 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
13104 |
20.8 |
0.1 |
0.673 |
0 |
0 |
0 |
0.000 |
41 |
|
[ACT]B:307 |
1 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
12681 |
20.4 |
-0.2 |
0.613 |
0 |
0 |
0 |
0.002 |
42 |
|
A |
2 |
1 |
12681 |
f |
[EDO]A:310 |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
186 |
18.2 |
0.2 |
0.480 |
0 |
0 |
0 |
0.000 |
43 |
|
[LI]A:312 |
1 |
1 |
130 |
f |
[SO4]A:301 |
x,y,z |
1_555 |
3 |
1 |
185 |
18.1 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.026 |
44 |
|
[LI]B:301 |
1 |
1 |
130 |
◊ |
A |
x,y,z |
1_555 |
4 |
4 |
12681 |
17.3 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.006 |
45 |
|
[EDO]A:309 |
2 |
1 |
184 |
f |
[SO4]A:302 |
x,y,z |
1_555 |
2 |
1 |
186 |
16.4 |
-1.6 |
0.980 |
0 |
0 |
0 |
0.013 |
46 |
|
[GOL]A:305 |
1 |
1 |
220 |
f |
[SO4]A:301 |
x,y,z |
1_555 |
2 |
1 |
185 |
16.3 |
-1.8 |
0.693 |
0 |
0 |
0 |
0.015 |
47 |
|
[EDO]B:309 |
3 |
1 |
184 |
f |
[SO4]B:302 |
x,y,z |
1_555 |
1 |
1 |
185 |
13.3 |
-1.5 |
0.894 |
0 |
0 |
0 |
0.012 |
48 |
|
[EDO]A:309 |
3 |
1 |
184 |
◊ |
[EDO]A:308 |
x,y,z |
1_555 |
2 |
1 |
185 |
13.0 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
49 |
|
[LI]A:312 |
1 |
1 |
130 |
f |
[GOL]A:305 |
x,y,z |
1_555 |
1 |
1 |
220 |
12.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.003 |
50 |
|
A |
2 |
1 |
12681 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
12681 |
10.3 |
-0.3 |
0.273 |
0 |
0 |
0 |
0.000 |
51 |
|
[EDO]A:308 |
1 |
1 |
185 |
f |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
1 |
1 |
13104 |
0.5 |
0.0 |
0.765 |
0 |
0 |
0 |
0.000 |
|