| ## |
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 |
|
D |
273 |
76 |
15816 |
◊ |
C |
x,y,z |
1_555 |
276 |
75 |
15814 |
2577.5 |
-16.0 |
0.331 |
64 |
17 |
0 |
0.940 |
2 |
|
B |
274 |
74 |
15748 |
◊ |
A |
x,y,z |
1_555 |
273 |
75 |
15760 |
2533.5 |
-15.8 |
0.345 |
67 |
18 |
0 |
0.940 |
| Average: |
2555.5 |
-15.9 |
0.338 |
66 |
18 |
0 |
0.940 |
| 2 |
3 |
|
C |
64 |
18 |
15814 |
◊ |
B |
x,y,z |
1_555 |
66 |
17 |
15748 |
628.7 |
-11.6 |
0.031 |
10 |
0 |
0 |
0.142 |
4 |
|
D |
60 |
16 |
15816 |
◊ |
A |
x,y,z |
1_555 |
62 |
16 |
15760 |
567.2 |
-8.8 |
0.090 |
9 |
0 |
0 |
0.142 |
| Average: |
597.9 |
-10.2 |
0.061 |
10 |
0 |
0 |
0.142 |
| 3 |
5 |
|
[COA]B:1393 |
38 |
1 |
988 |
◊ |
B |
x,y,z |
1_555 |
65 |
29 |
15748 |
540.3 |
4.2 |
0.382 |
3 |
0 |
0 |
0.000 |
6 |
|
[COA]A:1393 |
39 |
1 |
984 |
◊ |
A |
x,y,z |
1_555 |
69 |
31 |
15760 |
529.9 |
4.2 |
0.384 |
3 |
0 |
0 |
0.000 |
7 |
|
[COA]C:1393 |
39 |
1 |
990 |
◊ |
C |
x,y,z |
1_555 |
68 |
30 |
15814 |
529.8 |
3.8 |
0.403 |
3 |
0 |
0 |
0.000 |
8 |
|
[COA]D:1393 |
38 |
1 |
983 |
◊ |
D |
x,y,z |
1_555 |
69 |
31 |
15816 |
515.7 |
3.1 |
0.275 |
3 |
0 |
0 |
0.000 |
| Average: |
528.9 |
3.8 |
0.361 |
3 |
0 |
0 |
0.000 |
| 4 |
9 |
|
B |
52 |
15 |
15748 |
x |
B |
-x,y-1/2,-z |
2_545 |
59 |
18 |
15748 |
478.8 |
-3.4 |
0.426 |
5 |
2 |
0 |
0.000 |
10 |
|
A |
59 |
18 |
15760 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
57 |
16 |
15760 |
477.2 |
-3.3 |
0.436 |
5 |
2 |
0 |
0.000 |
| Average: |
478.0 |
-3.4 |
0.431 |
5 |
2 |
0 |
0.000 |
| 5 |
11 |
|
C |
41 |
10 |
15814 |
x |
C |
-x+1,y-1/2,-z+1 |
2_646 |
49 |
14 |
15814 |
348.5 |
-0.5 |
0.632 |
2 |
1 |
0 |
0.000 |
| 6 |
12 |
|
D |
30 |
10 |
15816 |
◊ |
B |
x,y,z |
1_555 |
33 |
9 |
15748 |
280.0 |
-2.4 |
0.379 |
6 |
0 |
0 |
0.025 |
| 7 |
13 |
|
C |
29 |
9 |
15814 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
24 |
6 |
15816 |
226.5 |
-2.2 |
0.366 |
0 |
0 |
0 |
0.000 |
| 8 |
14 |
|
C |
28 |
9 |
15814 |
◊ |
A |
x,y,z |
1_555 |
25 |
8 |
15760 |
203.2 |
-1.8 |
0.429 |
1 |
0 |
0 |
0.011 |
| 9 |
15 |
|
D |
8 |
3 |
15816 |
◊ |
C |
x-1,y,z |
1_455 |
13 |
5 |
15814 |
107.5 |
0.1 |
0.614 |
2 |
1 |
0 |
0.000 |
| 10 |
16 |
|
[SO4]A:1396 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
15760 |
96.0 |
-14.2 |
0.812 |
2 |
0 |
0 |
0.119 |
| 11 |
17 |
|
[SO4]B:1396 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
15748 |
84.6 |
-11.9 |
0.814 |
3 |
0 |
0 |
0.105 |
| 12 |
18 |
|
A |
12 |
4 |
15760 |
◊ |
B |
x,y-1,z |
1_545 |
13 |
4 |
15748 |
78.9 |
0.5 |
0.718 |
1 |
0 |
0 |
0.000 |
| 13 |
19 |
|
[SO4]A:1394 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
15760 |
74.3 |
-10.7 |
0.526 |
4 |
0 |
0 |
0.099 |
| 14 |
20 |
|
[SO4]B:1395 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
15748 |
73.2 |
-10.7 |
0.551 |
5 |
0 |
0 |
0.102 |
| 15 |
21 |
|
[SO4]A:1395 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
15760 |
63.5 |
-7.9 |
0.915 |
1 |
0 |
0 |
0.066 |
| 16 |
22 |
|
[SO4]B:1394 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
15748 |
62.7 |
-7.6 |
0.934 |
3 |
0 |
0 |
0.071 |
| 17 |
23 |
|
[COA]D:1393 |
8 |
1 |
983 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
15760 |
60.6 |
-2.0 |
0.026 |
0 |
0 |
0 |
0.100 |
24 |
|
[COA]A:1393 |
7 |
1 |
984 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
15816 |
43.2 |
-1.2 |
0.060 |
0 |
0 |
0 |
0.100 |
25 |
|
[COA]B:1393 |
5 |
1 |
988 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
15814 |
41.1 |
-1.0 |
0.080 |
0 |
0 |
0 |
0.100 |
26 |
|
[COA]C:1393 |
7 |
1 |
990 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
15748 |
35.5 |
-0.8 |
0.117 |
0 |
0 |
0 |
0.100 |
| Average: |
45.1 |
-1.3 |
0.071 |
0 |
0 |
0 |
0.100 |
| 18 |
27 |
|
A |
8 |
5 |
15760 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
5 |
4 |
15748 |
40.6 |
0.7 |
0.759 |
0 |
0 |
0 |
0.000 |
28 |
|
A |
5 |
4 |
15760 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
7 |
5 |
15748 |
39.0 |
0.6 |
0.752 |
0 |
0 |
0 |
0.000 |
| Average: |
39.8 |
0.7 |
0.756 |
0 |
0 |
0 |
0.000 |
| 19 |
29 |
|
[COA]C:1393 |
1 |
1 |
990 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
15760 |
25.8 |
-0.5 |
0.250 |
1 |
0 |
0 |
0.015 |
30 |
|
[COA]A:1393 |
2 |
1 |
984 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
15814 |
21.1 |
-0.3 |
0.386 |
1 |
0 |
0 |
0.015 |
| Average: |
23.4 |
-0.4 |
0.318 |
1 |
0 |
0 |
0.015 |
| 20 |
31 |
|
D |
1 |
1 |
15816 |
x |
D |
-x,y-1/2,-z+1 |
2_546 |
4 |
2 |
15816 |
24.5 |
0.3 |
0.779 |
0 |
0 |
0 |
0.000 |
| 21 |
32 |
|
[SO4]A:1395 |
2 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
15748 |
17.6 |
-2.0 |
0.826 |
0 |
0 |
0 |
0.016 |
| 22 |
33 |
|
[SO4]B:1394 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
15760 |
15.6 |
-1.6 |
0.838 |
0 |
0 |
0 |
0.012 |
| 23 |
34 |
|
A |
2 |
1 |
15760 |
◊ |
[SO4]B:1394 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
185 |
12.2 |
-1.2 |
0.826 |
0 |
0 |
0 |
0.000 |
| 24 |
35 |
|
[COA]D:1393 |
1 |
1 |
983 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
15814 |
8.8 |
-0.3 |
0.399 |
0 |
0 |
0 |
0.000 |
36 |
|
[COA]A:1393 |
1 |
1 |
984 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
15748 |
2.1 |
0.1 |
0.585 |
0 |
0 |
0 |
0.000 |
37 |
|
[COA]B:1393 |
1 |
1 |
988 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
15760 |
1.4 |
0.1 |
0.579 |
0 |
0 |
0 |
0.000 |
| Average: |
4.1 |
-0.0 |
0.521 |
0 |
0 |
0 |
0.001 |
| 25 |
38 |
|
[SO4]A:1395 |
1 |
1 |
185 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
1 |
1 |
15748 |
3.8 |
-0.3 |
0.921 |
0 |
0 |
0 |
0.000 |
| 26 |
39 |
|
[COA]B:1393 |
1 |
1 |
988 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
15816 |
0.2 |
-0.0 |
0.545 |
0 |
0 |
0 |
0.000 |
|