## |
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 |
|
N |
177 |
48 |
10631 |
◊ |
M |
x,y,z |
1_555 |
180 |
50 |
11447 |
1633.8 |
-22.1 |
0.412 |
13 |
0 |
0 |
0.412 |
2 |
|
L |
184 |
49 |
10614 |
◊ |
H |
x,y,z |
1_555 |
183 |
46 |
11247 |
1622.1 |
-22.0 |
0.297 |
13 |
0 |
0 |
0.412 |
Average: |
1628.0 |
-22.1 |
0.354 |
13 |
0 |
0 |
0.412 |
2 |
3 |
|
H |
72 |
16 |
11247 |
◊ |
A |
x,y,z |
1_555 |
80 |
23 |
9748 |
704.0 |
-2.5 |
0.733 |
17 |
7 |
0 |
0.281 |
4 |
|
M |
72 |
17 |
11447 |
◊ |
B |
x,y,z |
1_555 |
77 |
22 |
10205 |
687.1 |
-2.9 |
0.751 |
15 |
5 |
0 |
0.281 |
Average: |
695.5 |
-2.7 |
0.742 |
16 |
6 |
0 |
0.281 |
3 |
5 |
|
B |
60 |
17 |
10205 |
◊ |
A |
-x-1/2,y-1/2,-z |
4_445 |
62 |
20 |
9748 |
569.4 |
-8.2 |
0.236 |
3 |
0 |
0 |
0.000 |
4 |
6 |
|
L |
55 |
19 |
10614 |
◊ |
L |
-x-1,y,-z-1 |
2_454 |
55 |
19 |
10614 |
522.8 |
-4.5 |
0.632 |
12 |
0 |
0 |
0.022 |
5 |
7 |
|
A |
56 |
21 |
9748 |
◊ |
N |
x,y,z-1 |
1_554 |
51 |
18 |
10631 |
482.6 |
-2.0 |
0.791 |
6 |
0 |
0 |
0.037 |
8 |
|
L |
48 |
16 |
10614 |
◊ |
B |
x,y,z-1 |
1_554 |
53 |
18 |
10205 |
438.8 |
-1.4 |
0.776 |
4 |
0 |
0 |
0.037 |
Average: |
460.7 |
-1.7 |
0.784 |
5 |
0 |
0 |
0.037 |
6 |
9 |
|
H |
48 |
17 |
11247 |
◊ |
B |
x,y,z |
1_555 |
44 |
14 |
10205 |
409.0 |
1.6 |
0.880 |
7 |
0 |
0 |
0.000 |
10 |
|
M |
40 |
15 |
11447 |
◊ |
A |
x,y,z |
1_555 |
40 |
14 |
9748 |
330.2 |
-1.4 |
0.727 |
3 |
0 |
0 |
0.000 |
Average: |
369.6 |
0.1 |
0.803 |
5 |
0 |
0 |
0.000 |
7 |
11 |
|
B |
35 |
11 |
10205 |
◊ |
M |
-x-1/2,y-1/2,-z+1 |
4_446 |
31 |
9 |
11447 |
313.7 |
-5.2 |
0.206 |
0 |
0 |
0 |
0.000 |
8 |
12 |
|
H |
28 |
9 |
11247 |
◊ |
M |
-x-1/2,y-1/2,-z |
4_445 |
31 |
10 |
11447 |
268.3 |
-2.7 |
0.520 |
5 |
0 |
0 |
0.000 |
9 |
13 |
|
N |
28 |
13 |
10631 |
◊ |
A |
-x-1,y,-z |
2_455 |
16 |
5 |
9748 |
168.0 |
-3.4 |
0.287 |
1 |
0 |
0 |
0.017 |
10 |
14 |
|
H |
16 |
5 |
11247 |
◊ |
A |
-x-1/2,y-1/2,-z-1 |
4_444 |
18 |
6 |
9748 |
161.3 |
-3.4 |
0.192 |
0 |
0 |
0 |
0.000 |
11 |
15 |
|
A |
13 |
3 |
9748 |
◊ |
B |
x,y,z-1 |
1_554 |
14 |
4 |
10205 |
131.3 |
-2.9 |
0.201 |
0 |
0 |
0 |
0.014 |
12 |
16 |
|
[NAG]B:1001 |
10 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
12 |
6 |
10205 |
129.0 |
3.3 |
0.463 |
0 |
0 |
0 |
0.000 |
13 |
17 |
|
L |
13 |
6 |
10614 |
◊ |
B |
-x-1,y,-z |
2_455 |
10 |
3 |
10205 |
126.2 |
-2.0 |
0.248 |
0 |
0 |
0 |
0.009 |
14 |
18 |
|
[NAG]A:1001 |
10 |
1 |
343 |
cf |
A |
x,y,z |
1_555 |
16 |
8 |
9748 |
122.8 |
2.5 |
0.366 |
0 |
0 |
0 |
0.000 |
15 |
19 |
|
N |
19 |
9 |
10631 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
10205 |
109.0 |
-0.1 |
0.771 |
0 |
0 |
0 |
0.000 |
20 |
|
L |
18 |
7 |
10614 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
9748 |
106.1 |
-0.1 |
0.752 |
0 |
0 |
0 |
0.000 |
Average: |
107.5 |
-0.1 |
0.762 |
0 |
0 |
0 |
0.001 |
16 |
21 |
|
[SO4]M:302 |
5 |
1 |
185 |
f |
M |
x,y,z |
1_555 |
13 |
7 |
11447 |
80.4 |
-12.2 |
0.815 |
4 |
0 |
0 |
0.361 |
17 |
22 |
|
[SO4]H:303 |
5 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
10 |
6 |
11247 |
74.7 |
-10.9 |
0.808 |
4 |
0 |
0 |
0.318 |
18 |
23 |
|
[SO4]H:301 |
5 |
1 |
187 |
f |
H |
x,y,z |
1_555 |
12 |
5 |
11247 |
72.4 |
-10.1 |
0.838 |
2 |
0 |
0 |
0.277 |
19 |
24 |
|
[SO4]M:301 |
5 |
1 |
185 |
f |
M |
x,y,z |
1_555 |
14 |
6 |
11447 |
72.1 |
-10.2 |
0.858 |
3 |
0 |
0 |
0.299 |
20 |
25 |
|
[SO4]H:302 |
5 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
9 |
5 |
10614 |
69.9 |
-9.3 |
0.910 |
2 |
0 |
0 |
0.125 |
21 |
26 |
|
[SO4]N:301 |
5 |
1 |
184 |
f |
N |
x,y,z |
1_555 |
7 |
4 |
10631 |
68.7 |
-9.5 |
0.843 |
3 |
0 |
0 |
0.160 |
22 |
27 |
|
[SO4]L:301 |
4 |
1 |
184 |
f |
L |
x,y,z |
1_555 |
10 |
3 |
10614 |
62.3 |
-8.6 |
0.789 |
1 |
0 |
0 |
0.111 |
23 |
28 |
|
[SO4]H:303 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
9748 |
54.0 |
-7.0 |
0.874 |
1 |
0 |
0 |
0.188 |
24 |
29 |
|
[SO4]L:302 |
5 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
8 |
3 |
10614 |
52.9 |
-6.0 |
0.920 |
2 |
0 |
0 |
0.084 |
25 |
30 |
|
M |
8 |
5 |
11447 |
◊ |
H |
x,y,z |
1_555 |
6 |
4 |
11247 |
51.6 |
-0.6 |
0.511 |
0 |
0 |
0 |
0.000 |
26 |
31 |
|
N |
5 |
2 |
10631 |
◊ |
L |
-x-1,y,-z |
2_455 |
6 |
3 |
10614 |
49.6 |
-0.5 |
0.494 |
0 |
0 |
0 |
0.002 |
27 |
32 |
|
[SO4]N:301 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
10205 |
49.2 |
-5.5 |
0.900 |
1 |
0 |
0 |
0.069 |
28 |
33 |
|
[SO4]M:302 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
10205 |
48.7 |
-6.1 |
0.795 |
0 |
0 |
0 |
0.158 |
29 |
34 |
|
[SO4]L:302 |
4 |
1 |
185 |
◊ |
N |
x,y,z-1 |
1_554 |
3 |
2 |
10631 |
48.0 |
-5.3 |
0.912 |
1 |
0 |
0 |
0.027 |
30 |
35 |
|
L |
5 |
3 |
10614 |
◊ |
N |
x,y,z-1 |
1_554 |
6 |
3 |
10631 |
44.4 |
2.1 |
0.978 |
0 |
0 |
0 |
0.000 |
31 |
36 |
|
[SO4]N:301 |
4 |
1 |
184 |
◊ |
M |
x,y,z |
1_555 |
3 |
1 |
11447 |
41.3 |
-3.3 |
0.985 |
0 |
0 |
0 |
0.049 |
32 |
37 |
|
[SO4]H:302 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
9748 |
40.0 |
-4.7 |
0.906 |
1 |
0 |
0 |
0.048 |
33 |
38 |
|
[SO4]H:302 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
11247 |
39.2 |
-2.7 |
0.992 |
1 |
0 |
0 |
0.038 |
34 |
39 |
|
[SO4]L:302 |
2 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
9748 |
37.7 |
-4.6 |
0.846 |
1 |
0 |
0 |
0.047 |
35 |
40 |
|
B |
4 |
1 |
10205 |
◊ |
M |
-x-1/2,y-1/2,-z |
4_445 |
3 |
2 |
11447 |
33.8 |
-0.7 |
0.342 |
0 |
0 |
0 |
0.000 |
36 |
41 |
|
A |
2 |
1 |
9748 |
◊ |
[SO4]N:301 |
x,y,z-1 |
1_554 |
1 |
1 |
184 |
8.0 |
-1.1 |
0.620 |
0 |
0 |
0 |
0.005 |
37 |
42 |
|
H |
1 |
1 |
11247 |
◊ |
B |
x,y,z-1 |
1_554 |
1 |
1 |
10205 |
6.2 |
-0.0 |
0.490 |
0 |
0 |
0 |
0.000 |
43 |
|
A |
1 |
1 |
9748 |
◊ |
M |
x,y,z-1 |
1_554 |
1 |
1 |
11447 |
3.7 |
-0.0 |
0.530 |
0 |
0 |
0 |
0.000 |
Average: |
5.0 |
-0.0 |
0.510 |
0 |
0 |
0 |
0.000 |
38 |
44 |
|
[SO4]L:302 |
2 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
3 |
2 |
11247 |
5.7 |
-0.8 |
0.745 |
0 |
0 |
0 |
0.009 |
39 |
45 |
|
L |
1 |
1 |
10614 |
◊ |
[SO4]N:301 |
x,y,z-1 |
1_554 |
1 |
1 |
184 |
2.5 |
-0.3 |
0.860 |
0 |
0 |
0 |
0.001 |
40 |
46 |
|
H |
1 |
1 |
11247 |
◊ |
B |
-x-1,y,-z |
2_455 |
1 |
1 |
10205 |
0.2 |
-0.0 |
0.629 |
0 |
0 |
0 |
0.000 |
|