| ## |
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 |
|
A |
54 |
20 |
12554 |
x |
A |
-x-1,y-1/2,-z-1 |
2_444 |
53 |
17 |
12554 |
508.3 |
-3.4 |
0.379 |
2 |
0 |
0 |
0.000 |
2 |
|
C |
49 |
16 |
12235 |
x |
C |
-x-1,y-1/2,-z |
2_445 |
55 |
20 |
12235 |
489.7 |
-4.2 |
0.327 |
2 |
0 |
0 |
0.000 |
3 |
|
B |
47 |
15 |
12376 |
x |
B |
-x,y-1/2,-z-1 |
2_544 |
49 |
18 |
12376 |
484.1 |
-4.4 |
0.329 |
2 |
0 |
0 |
0.000 |
4 |
|
D |
53 |
18 |
12547 |
x |
D |
-x,y-1/2,-z |
2_545 |
50 |
16 |
12547 |
477.9 |
-4.5 |
0.287 |
1 |
0 |
0 |
0.000 |
| Average: |
490.0 |
-4.1 |
0.331 |
2 |
0 |
0 |
0.000 |
| 2 |
5 |
|
A |
57 |
14 |
12554 |
◊ |
B |
x,y-1,z |
1_545 |
55 |
20 |
12376 |
478.7 |
2.0 |
0.817 |
8 |
3 |
0 |
0.033 |
6 |
|
D |
52 |
15 |
12547 |
◊ |
C |
x,y-1,z |
1_545 |
53 |
15 |
12235 |
427.8 |
-1.7 |
0.552 |
7 |
2 |
0 |
0.033 |
| Average: |
453.3 |
0.1 |
0.685 |
8 |
3 |
0 |
0.033 |
| 3 |
7 |
|
B |
46 |
13 |
12376 |
◊ |
A |
x,y,z |
1_555 |
49 |
13 |
12554 |
414.3 |
-3.2 |
0.416 |
1 |
2 |
0 |
0.000 |
8 |
|
D |
42 |
13 |
12547 |
◊ |
C |
x,y,z |
1_555 |
40 |
11 |
12235 |
338.0 |
-2.5 |
0.416 |
0 |
0 |
0 |
0.000 |
| Average: |
376.2 |
-2.9 |
0.416 |
1 |
1 |
0 |
0.000 |
| 4 |
9 |
|
C |
41 |
13 |
12235 |
◊ |
D |
x-1,y+1,z |
1_465 |
43 |
13 |
12547 |
390.3 |
-3.9 |
0.300 |
7 |
0 |
0 |
0.000 |
10 |
|
A |
39 |
11 |
12554 |
◊ |
B |
x-1,y-1,z |
1_445 |
45 |
11 |
12376 |
366.5 |
-3.8 |
0.323 |
5 |
0 |
0 |
0.000 |
| Average: |
378.4 |
-3.8 |
0.311 |
6 |
0 |
0 |
0.000 |
| 5 |
11 |
|
D |
30 |
8 |
12547 |
◊ |
A |
x,y,z |
1_555 |
25 |
7 |
12554 |
244.9 |
-3.2 |
0.245 |
4 |
0 |
0 |
0.020 |
| 6 |
12 |
|
D |
15 |
5 |
12547 |
◊ |
B |
x,y-1,z |
1_545 |
19 |
6 |
12376 |
168.0 |
-2.0 |
0.321 |
2 |
0 |
0 |
0.012 |
| 7 |
13 |
|
[GOL]D:900 |
6 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
13 |
7 |
12547 |
99.9 |
-1.2 |
0.361 |
0 |
0 |
0 |
0.008 |
| 8 |
14 |
|
[SO4]A:700 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
12554 |
92.1 |
-12.5 |
0.835 |
4 |
0 |
0 |
0.059 |
| 9 |
15 |
|
[SO4]B:700 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
12376 |
91.6 |
-13.0 |
0.837 |
4 |
0 |
0 |
0.061 |
| 10 |
16 |
|
[SO4]C:700 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
12235 |
88.8 |
-13.5 |
0.810 |
5 |
0 |
0 |
0.101 |
| 11 |
17 |
|
[SO4]D:702 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
13 |
7 |
12547 |
88.2 |
-11.7 |
0.878 |
4 |
0 |
0 |
0.087 |
| 12 |
18 |
|
[SO4]C:701 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
12235 |
88.1 |
-12.0 |
0.868 |
4 |
0 |
0 |
0.089 |
| 13 |
19 |
|
[SO4]D:701 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
18 |
6 |
12547 |
88.1 |
-12.6 |
0.747 |
3 |
0 |
0 |
0.090 |
| 14 |
20 |
|
[SO4]D:700 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
12547 |
86.0 |
-11.4 |
0.815 |
3 |
0 |
0 |
0.082 |
| 15 |
21 |
|
[SO4]C:702 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
12235 |
83.2 |
-12.0 |
0.765 |
3 |
0 |
0 |
0.086 |
| 16 |
22 |
|
[CL]D:703 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
13 |
7 |
12547 |
74.2 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.196 |
23 |
|
[CL]C:801 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
12235 |
73.0 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.196 |
24 |
|
[CL]A:800 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
12554 |
72.1 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.196 |
25 |
|
[CL]B:703 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
12376 |
70.7 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.196 |
| Average: |
72.5 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.196 |
| 17 |
26 |
|
[CL]D:704 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
13 |
7 |
12547 |
71.0 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.065 |
| 18 |
27 |
|
[GOL]D:900 |
5 |
1 |
216 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
12 |
4 |
12547 |
69.1 |
-0.2 |
0.570 |
2 |
0 |
0 |
0.000 |
| 19 |
28 |
|
[CL]A:801 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
12554 |
67.7 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.070 |
29 |
|
[CL]B:701 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
12376 |
66.2 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.070 |
| Average: |
66.9 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.070 |
| 20 |
30 |
|
C |
4 |
3 |
12235 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
12554 |
57.7 |
-1.3 |
0.183 |
0 |
0 |
0 |
0.005 |
| 21 |
31 |
|
[CL]B:702 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
12376 |
56.2 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.029 |
| 22 |
32 |
|
A |
7 |
1 |
12554 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
5 |
1 |
12376 |
56.2 |
1.1 |
0.810 |
0 |
0 |
0 |
0.000 |
33 |
|
A |
5 |
1 |
12554 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
7 |
2 |
12376 |
53.3 |
0.4 |
0.723 |
0 |
0 |
0 |
0.000 |
34 |
|
D |
7 |
1 |
12547 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
7 |
1 |
12235 |
51.6 |
0.6 |
0.747 |
0 |
0 |
0 |
0.000 |
35 |
|
D |
2 |
1 |
12547 |
◊ |
C |
-x-1,y-1/2,-z |
2_445 |
3 |
1 |
12235 |
28.1 |
-0.1 |
0.339 |
0 |
0 |
0 |
0.000 |
| Average: |
47.3 |
0.5 |
0.655 |
0 |
0 |
0 |
0.000 |
| 23 |
36 |
|
D |
7 |
2 |
12547 |
◊ |
[SO4]C:702 |
x,y-1,z |
1_545 |
4 |
1 |
185 |
53.0 |
-6.6 |
0.849 |
1 |
0 |
0 |
0.045 |
| 24 |
37 |
|
[SO4]D:702 |
4 |
1 |
185 |
◊ |
[SO4]C:701 |
x,y-1,z |
1_545 |
4 |
1 |
185 |
42.0 |
-9.4 |
0.998 |
0 |
0 |
0 |
0.061 |
| 25 |
38 |
|
[SO4]D:701 |
4 |
1 |
184 |
◊ |
C |
x,y-1,z |
1_545 |
6 |
1 |
12235 |
40.1 |
-4.8 |
0.811 |
0 |
0 |
0 |
0.031 |
| 26 |
39 |
|
A |
2 |
1 |
12554 |
◊ |
[SO4]B:700 |
x,y-1,z |
1_545 |
4 |
1 |
186 |
33.5 |
-3.8 |
0.971 |
2 |
0 |
0 |
0.019 |
| 27 |
40 |
|
[SO4]D:702 |
3 |
1 |
185 |
◊ |
C |
x,y-1,z |
1_545 |
3 |
2 |
12235 |
32.7 |
-3.3 |
0.954 |
0 |
0 |
0 |
0.021 |
| 28 |
41 |
|
D |
4 |
2 |
12547 |
◊ |
[SO4]C:701 |
x,y-1,z |
1_545 |
4 |
1 |
185 |
31.3 |
-3.1 |
0.940 |
0 |
0 |
0 |
0.020 |
| 29 |
42 |
|
[SO4]A:700 |
2 |
1 |
185 |
◊ |
B |
x,y-1,z |
1_545 |
4 |
1 |
12376 |
22.7 |
-3.0 |
0.731 |
0 |
0 |
0 |
0.012 |
| 30 |
43 |
|
[SO4]D:700 |
2 |
1 |
184 |
◊ |
C |
x,y-1,z |
1_545 |
4 |
1 |
12235 |
22.1 |
-2.4 |
0.903 |
0 |
0 |
0 |
0.015 |
| 31 |
44 |
|
D |
4 |
1 |
12547 |
◊ |
[SO4]C:700 |
x,y-1,z |
1_545 |
3 |
1 |
185 |
19.4 |
-2.3 |
0.831 |
0 |
0 |
0 |
0.015 |
| 32 |
45 |
|
A |
1 |
1 |
12554 |
◊ |
C |
x,y-1,z |
1_545 |
4 |
2 |
12235 |
15.1 |
0.2 |
0.705 |
0 |
0 |
0 |
0.000 |
|