| ## |
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 |
|
C |
58 |
18 |
6284 |
◊ |
B |
x,y,z |
1_555 |
51 |
21 |
6080 |
519.5 |
-2.3 |
0.486 |
7 |
0 |
0 |
0.000 |
2 |
|
B |
51 |
17 |
6080 |
◊ |
A |
x,y,z |
1_555 |
52 |
20 |
6017 |
477.2 |
-3.1 |
0.396 |
6 |
0 |
0 |
0.000 |
3 |
|
C |
49 |
19 |
6284 |
◊ |
A |
x,y,z |
1_555 |
53 |
17 |
6017 |
470.2 |
-2.3 |
0.453 |
5 |
0 |
0 |
0.000 |
| Average: |
489.0 |
-2.6 |
0.445 |
6 |
0 |
0 |
0.000 |
| 2 |
4 |
|
B |
27 |
12 |
6080 |
◊ |
C |
x-1,y,z |
1_455 |
37 |
13 |
6284 |
295.2 |
-2.6 |
0.305 |
3 |
0 |
0 |
0.000 |
| 3 |
5 |
|
A |
31 |
9 |
6017 |
◊ |
C |
x-1,y,z |
1_455 |
21 |
9 |
6284 |
218.2 |
0.7 |
0.611 |
4 |
0 |
0 |
0.000 |
| 4 |
6 |
|
B |
24 |
10 |
6080 |
◊ |
A |
x,y,z-1 |
1_554 |
16 |
9 |
6017 |
202.9 |
-2.9 |
0.196 |
1 |
0 |
0 |
0.000 |
7 |
|
A |
23 |
10 |
6017 |
◊ |
C |
x-1,y-1,z |
1_445 |
18 |
9 |
6284 |
196.6 |
-2.8 |
0.216 |
2 |
0 |
0 |
0.000 |
| Average: |
199.7 |
-2.9 |
0.206 |
2 |
0 |
0 |
0.000 |
| 5 |
8 |
|
B |
16 |
7 |
6080 |
◊ |
C |
x-1,y-1,z-1 |
1_444 |
21 |
7 |
6284 |
184.0 |
-0.8 |
0.452 |
2 |
0 |
0 |
0.000 |
| 6 |
9 |
|
[EDO]A:203 |
4 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
19 |
10 |
6017 |
117.8 |
3.6 |
0.515 |
4 |
0 |
0 |
0.000 |
| 7 |
10 |
|
[EDO]B:203 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
18 |
9 |
6080 |
109.7 |
3.2 |
0.500 |
3 |
0 |
0 |
0.000 |
| 8 |
11 |
|
[EDO]C:201 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
16 |
9 |
6284 |
108.2 |
3.3 |
0.518 |
2 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[EDO]C:207 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
17 |
8 |
6284 |
105.3 |
3.4 |
0.480 |
3 |
0 |
0 |
0.000 |
| 10 |
13 |
|
[EDO]C:204 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
6284 |
98.8 |
3.0 |
0.479 |
6 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[SO4]A:204 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
6017 |
98.8 |
-14.1 |
0.904 |
5 |
0 |
0 |
0.179 |
| 12 |
15 |
|
[SO4]B:207 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
6080 |
97.0 |
-13.6 |
0.915 |
6 |
0 |
0 |
0.109 |
| 13 |
16 |
|
[EDO]B:202 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
6080 |
95.3 |
3.7 |
0.529 |
1 |
0 |
0 |
0.000 |
| 14 |
17 |
|
[SO4]C:210 |
5 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
6284 |
93.6 |
-13.5 |
0.706 |
5 |
0 |
0 |
0.051 |
| 15 |
18 |
|
[EDO]C:205 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
16 |
6 |
6284 |
93.4 |
3.3 |
0.473 |
2 |
0 |
0 |
0.000 |
| 16 |
19 |
|
[EDO]C:203 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
14 |
8 |
6284 |
88.8 |
3.2 |
0.333 |
3 |
0 |
0 |
0.000 |
| 17 |
20 |
|
[EDO]C:206 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
15 |
5 |
6284 |
88.4 |
2.2 |
0.251 |
2 |
0 |
0 |
0.000 |
| 18 |
21 |
|
[SO4]C:211 |
5 |
1 |
190 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
6284 |
86.4 |
-13.9 |
0.552 |
4 |
0 |
0 |
0.050 |
| 19 |
22 |
|
[EDO]A:201 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
6017 |
84.7 |
2.2 |
0.257 |
0 |
0 |
0 |
0.000 |
| 20 |
23 |
|
[EDO]B:201 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
6080 |
83.9 |
2.5 |
0.267 |
3 |
0 |
0 |
0.000 |
| 21 |
24 |
|
[EDO]C:202 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
6284 |
83.4 |
1.8 |
0.168 |
1 |
0 |
0 |
0.000 |
| 22 |
25 |
|
[EDO]B:204 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
6080 |
82.6 |
1.7 |
0.209 |
0 |
0 |
0 |
0.000 |
| 23 |
26 |
|
[EDO]C:209 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
14 |
5 |
6284 |
81.9 |
2.2 |
0.265 |
1 |
0 |
0 |
0.000 |
| 24 |
27 |
|
B |
8 |
4 |
6080 |
◊ |
C |
x-1,y-1,z |
1_445 |
13 |
5 |
6284 |
73.2 |
-0.6 |
0.394 |
0 |
0 |
0 |
0.000 |
28 |
|
C |
7 |
4 |
6284 |
◊ |
A |
x,y,z-1 |
1_554 |
13 |
5 |
6017 |
72.8 |
-0.6 |
0.364 |
0 |
0 |
0 |
0.000 |
| Average: |
73.0 |
-0.6 |
0.379 |
0 |
0 |
0 |
0.000 |
| 25 |
29 |
|
[EDO]B:206 |
4 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
6080 |
70.8 |
1.4 |
0.250 |
4 |
0 |
0 |
0.003 |
| 26 |
30 |
|
[EDO]A:202 |
4 |
1 |
178 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
6017 |
69.0 |
1.6 |
0.797 |
1 |
0 |
0 |
0.000 |
| 27 |
31 |
|
[EDO]C:208 |
4 |
1 |
178 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
6284 |
67.9 |
1.4 |
0.756 |
1 |
0 |
0 |
0.000 |
| 28 |
32 |
|
[EDO]B:205 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
6080 |
64.6 |
1.4 |
0.793 |
2 |
0 |
0 |
0.000 |
| 29 |
33 |
|
[EDO]B:201 |
2 |
1 |
183 |
f |
C |
x-1,y-1,z-1 |
1_444 |
8 |
4 |
6284 |
57.1 |
1.5 |
0.509 |
1 |
0 |
0 |
0.000 |
| 30 |
34 |
|
B |
10 |
6 |
6080 |
◊ |
[SO4]C:210 |
x-1,y,z |
1_455 |
4 |
1 |
189 |
54.7 |
-6.0 |
0.858 |
1 |
0 |
0 |
0.000 |
| 31 |
35 |
|
A |
5 |
3 |
6017 |
◊ |
C |
x,y-1,z |
1_545 |
7 |
4 |
6284 |
54.4 |
0.1 |
0.592 |
0 |
0 |
0 |
0.000 |
| 32 |
36 |
|
[EDO]B:206 |
4 |
1 |
189 |
◊ |
A |
x,y,z |
1_555 |
10 |
6 |
6017 |
53.1 |
1.4 |
0.817 |
1 |
0 |
0 |
0.000 |
| 33 |
37 |
|
[SO4]C:211 |
4 |
1 |
190 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
6080 |
41.5 |
-5.4 |
0.408 |
0 |
0 |
0 |
0.000 |
| 34 |
38 |
|
[EDO]B:206 |
3 |
1 |
189 |
◊ |
C |
x-1,y,z |
1_455 |
7 |
3 |
6284 |
41.3 |
1.4 |
0.280 |
0 |
0 |
0 |
0.000 |
| 35 |
39 |
|
A |
2 |
1 |
6017 |
f |
[EDO]C:206 |
x-1,y,z |
1_455 |
3 |
1 |
185 |
35.0 |
0.4 |
0.309 |
0 |
0 |
0 |
0.000 |
| 36 |
40 |
|
[EDO]C:209 |
2 |
1 |
184 |
f |
[EDO]C:206 |
x,y,z |
1_555 |
3 |
1 |
185 |
32.8 |
1.7 |
0.707 |
0 |
0 |
0 |
0.000 |
| 37 |
41 |
|
[EDO]B:203 |
3 |
1 |
186 |
◊ |
[EDO]B:202 |
x,y,z |
1_555 |
2 |
1 |
184 |
30.5 |
1.2 |
1.000 |
0 |
0 |
0 |
0.000 |
| 38 |
42 |
|
A |
4 |
3 |
6017 |
f |
[EDO]C:207 |
x-1,y-1,z |
1_445 |
4 |
1 |
186 |
29.4 |
1.4 |
0.926 |
0 |
0 |
0 |
0.000 |
| 39 |
43 |
|
[SO4]C:211 |
2 |
1 |
190 |
f |
[EDO]C:202 |
x,y,z |
1_555 |
3 |
1 |
183 |
28.0 |
-3.2 |
0.980 |
2 |
0 |
0 |
0.013 |
| 40 |
44 |
|
[EDO]B:205 |
2 |
1 |
182 |
f |
C |
x-1,y,z |
1_455 |
2 |
1 |
6284 |
27.7 |
0.3 |
0.374 |
0 |
0 |
0 |
0.000 |
| 41 |
45 |
|
[EDO]C:202 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
6080 |
25.7 |
-0.1 |
0.285 |
0 |
0 |
0 |
0.000 |
| 42 |
46 |
|
[EDO]B:202 |
2 |
1 |
184 |
f |
A |
x,y,z-1 |
1_554 |
2 |
1 |
6017 |
24.9 |
0.2 |
0.396 |
0 |
0 |
0 |
0.000 |
| 43 |
47 |
|
[EDO]C:202 |
3 |
1 |
183 |
◊ |
A |
x,y,z-1 |
1_554 |
2 |
1 |
6017 |
24.7 |
0.8 |
0.758 |
0 |
0 |
0 |
0.000 |
| 44 |
48 |
|
[EDO]B:205 |
2 |
1 |
182 |
f |
[SO4]C:210 |
x-1,y,z |
1_455 |
2 |
1 |
189 |
15.8 |
-1.6 |
0.980 |
0 |
0 |
0 |
0.005 |
| 45 |
49 |
|
B |
2 |
1 |
6080 |
f |
[EDO]C:205 |
x-1,y-1,z |
1_445 |
1 |
1 |
184 |
8.7 |
0.2 |
0.809 |
0 |
0 |
0 |
0.000 |
| 46 |
50 |
|
[EDO]C:201 |
1 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
6017 |
5.4 |
0.2 |
0.854 |
0 |
0 |
0 |
0.000 |
| 47 |
51 |
|
[EDO]A:203 |
1 |
1 |
188 |
f |
C |
x-1,y-1,z |
1_445 |
1 |
1 |
6284 |
1.1 |
-0.0 |
0.666 |
0 |
0 |
0 |
0.000 |
| 48 |
52 |
|
[EDO]B:203 |
1 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
6284 |
0.8 |
0.0 |
0.804 |
0 |
0 |
0 |
0.000 |
|