| ## |
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 |
|
B |
97 |
32 |
18223 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
97 |
35 |
18216 |
855.0 |
-7.1 |
0.255 |
5 |
5 |
0 |
0.000 |
| 2 |
2 |
|
C |
69 |
24 |
18216 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
85 |
30 |
18236 |
686.5 |
-8.1 |
0.125 |
3 |
0 |
0 |
0.047 |
3 |
|
A |
79 |
27 |
18216 |
◊ |
B |
x-1,y,z |
1_455 |
62 |
23 |
18223 |
665.2 |
-7.1 |
0.150 |
4 |
0 |
0 |
0.047 |
| Average: |
675.8 |
-7.6 |
0.137 |
4 |
0 |
0 |
0.047 |
| 3 |
4 |
|
D |
74 |
22 |
18236 |
x |
D |
-x+1,y-1/2,-z |
2_645 |
69 |
23 |
18236 |
683.7 |
-5.4 |
0.222 |
5 |
5 |
0 |
0.000 |
| 4 |
5 |
|
A |
59 |
18 |
18216 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
57 |
21 |
18216 |
559.1 |
-5.1 |
0.230 |
6 |
4 |
0 |
0.000 |
| 5 |
6 |
|
B |
40 |
10 |
18223 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
53 |
15 |
18216 |
415.9 |
0.7 |
0.741 |
2 |
0 |
0 |
0.000 |
| 6 |
7 |
|
A |
31 |
12 |
18216 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
32 |
12 |
18216 |
327.2 |
-1.4 |
0.457 |
2 |
4 |
0 |
0.000 |
8 |
|
B |
33 |
11 |
18223 |
◊ |
D |
x,y-1,z |
1_545 |
31 |
12 |
18236 |
320.9 |
-1.2 |
0.508 |
3 |
4 |
0 |
0.000 |
| Average: |
324.1 |
-1.3 |
0.483 |
3 |
4 |
0 |
0.000 |
| 7 |
9 |
|
B |
32 |
10 |
18223 |
◊ |
A |
x,y,z |
1_555 |
37 |
11 |
18216 |
319.8 |
-2.1 |
0.402 |
2 |
1 |
0 |
0.000 |
| 8 |
10 |
|
D |
35 |
12 |
18236 |
◊ |
B |
x,y,z |
1_555 |
36 |
13 |
18223 |
291.9 |
-0.4 |
0.588 |
1 |
1 |
0 |
0.000 |
| 9 |
11 |
|
A |
31 |
11 |
18216 |
◊ |
D |
x,y-1,z |
1_545 |
30 |
12 |
18236 |
281.4 |
-3.7 |
0.191 |
2 |
0 |
0 |
0.000 |
| 10 |
12 |
|
C |
30 |
12 |
18216 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
29 |
10 |
18236 |
216.4 |
0.6 |
0.710 |
5 |
0 |
0 |
0.000 |
| 11 |
13 |
|
D |
22 |
8 |
18236 |
◊ |
C |
x,y,z |
1_555 |
23 |
9 |
18216 |
138.7 |
-1.7 |
0.336 |
0 |
0 |
0 |
0.000 |
| 12 |
14 |
|
C |
11 |
3 |
18216 |
x |
C |
-x,y-1/2,-z |
2_545 |
18 |
8 |
18216 |
135.2 |
0.2 |
0.646 |
2 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[SO4]C:1466 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
16 |
9 |
18216 |
103.0 |
-16.9 |
0.626 |
3 |
0 |
0 |
0.023 |
| 14 |
16 |
|
[SO4]A:1474 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
18216 |
102.5 |
-15.9 |
0.800 |
4 |
0 |
0 |
0.093 |
| 15 |
17 |
|
[SO4]B:1471 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
18223 |
101.9 |
-17.5 |
0.562 |
3 |
0 |
0 |
0.099 |
| 16 |
18 |
|
[SO4]D:1474 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
17 |
10 |
18236 |
101.4 |
-17.5 |
0.673 |
3 |
0 |
0 |
0.020 |
| 17 |
19 |
|
[SO4]A:1473 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
18216 |
96.6 |
-12.0 |
0.900 |
2 |
0 |
0 |
0.067 |
| 18 |
20 |
|
[SO4]C:1469 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
18216 |
94.6 |
-14.4 |
0.712 |
2 |
0 |
0 |
0.019 |
| 19 |
21 |
|
[SO4]D:1473 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
18236 |
82.4 |
-11.3 |
0.710 |
1 |
0 |
0 |
0.013 |
| 20 |
22 |
|
[SO4]B:1466 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
18223 |
82.1 |
-11.4 |
0.733 |
3 |
0 |
0 |
0.067 |
| 21 |
23 |
|
[SO4]A:1469 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
18216 |
80.3 |
-12.7 |
0.632 |
2 |
0 |
0 |
0.071 |
| 22 |
24 |
|
[SO4]B:1468 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
18223 |
80.1 |
-12.5 |
0.664 |
3 |
0 |
0 |
0.073 |
| 23 |
25 |
|
[SO4]C:1470 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
18216 |
79.9 |
-10.5 |
0.918 |
3 |
0 |
0 |
0.015 |
| 24 |
26 |
|
[SO4]B:1470 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
18223 |
79.5 |
-10.8 |
0.736 |
1 |
0 |
0 |
0.059 |
| 25 |
27 |
|
[SO4]A:1467 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
18216 |
78.3 |
-10.3 |
0.916 |
2 |
0 |
0 |
0.059 |
| 26 |
28 |
|
[SO4]D:1469 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
18236 |
78.0 |
-12.8 |
0.654 |
2 |
0 |
0 |
0.015 |
| 27 |
29 |
|
[SO4]A:1470 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
18216 |
76.6 |
-10.6 |
0.749 |
2 |
0 |
0 |
0.060 |
| 28 |
30 |
|
[SO4]C:1468 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
18216 |
76.6 |
-11.6 |
0.613 |
3 |
0 |
0 |
0.017 |
| 29 |
31 |
|
[SO4]D:1470 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
18236 |
75.7 |
-10.0 |
0.816 |
1 |
0 |
0 |
0.011 |
| 30 |
32 |
|
[SO4]D:1467 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
18236 |
74.7 |
-9.4 |
0.941 |
2 |
0 |
0 |
0.011 |
| 31 |
33 |
|
[SO4]C:1471 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
18216 |
68.5 |
-9.5 |
0.688 |
1 |
0 |
0 |
0.013 |
| 32 |
34 |
|
[SO4]A:1468 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
18216 |
64.7 |
-8.7 |
0.840 |
2 |
0 |
0 |
0.050 |
| 33 |
35 |
|
[SO4]D:1468 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
11 |
7 |
18236 |
63.2 |
-8.4 |
0.829 |
2 |
0 |
0 |
0.010 |
| 34 |
36 |
|
[SO4]B:1467 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
18223 |
63.1 |
-8.1 |
0.882 |
2 |
0 |
0 |
0.047 |
| 35 |
37 |
|
[SO4]B:1469 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
18223 |
62.5 |
-8.6 |
0.718 |
1 |
0 |
0 |
0.047 |
| 36 |
38 |
|
[SO4]C:1467 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
18216 |
54.2 |
-7.3 |
0.830 |
1 |
0 |
0 |
0.010 |
| 37 |
39 |
|
B |
6 |
2 |
18223 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
4 |
18223 |
52.2 |
0.2 |
0.587 |
0 |
0 |
0 |
0.000 |
| 38 |
40 |
|
A |
5 |
2 |
18216 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
1 |
18223 |
44.6 |
-0.2 |
0.425 |
0 |
0 |
0 |
0.000 |
| 39 |
41 |
|
[MG]D:1471 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
5 |
18236 |
40.3 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.035 |
42 |
|
[MG]A:1471 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
18216 |
39.2 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.035 |
| Average: |
39.8 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.035 |
| 40 |
43 |
|
A |
4 |
2 |
18216 |
◊ |
C |
-x,y-3/2,-z |
2_535 |
7 |
3 |
18216 |
38.9 |
-0.2 |
0.464 |
0 |
0 |
0 |
0.000 |
| 41 |
44 |
|
[MG]A:1472 |
1 |
1 |
98 |
f |
A |
-x,y-1/2,-z+1 |
2_546 |
6 |
2 |
18216 |
38.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.025 |
45 |
|
[MG]D:1472 |
1 |
1 |
98 |
f |
D |
-x+1,y-1/2,-z |
2_645 |
6 |
2 |
18236 |
37.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.025 |
| Average: |
37.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.025 |
| 42 |
46 |
|
[MG]A:1472 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
18216 |
36.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.000 |
47 |
|
[MG]D:1472 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
10 |
5 |
18236 |
35.1 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
36.0 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 43 |
48 |
|
A |
6 |
3 |
18216 |
◊ |
[SO4]B:1470 |
x-1,y,z |
1_455 |
4 |
1 |
185 |
35.4 |
-3.9 |
0.856 |
0 |
0 |
0 |
0.020 |
| 44 |
49 |
|
[SO4]B:1470 |
3 |
1 |
185 |
f |
[SO4]B:1469 |
x,y,z |
1_555 |
4 |
1 |
185 |
30.3 |
-6.8 |
0.995 |
0 |
0 |
0 |
0.035 |
| 45 |
50 |
|
D |
3 |
1 |
18236 |
◊ |
[MG]D:1471 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
98 |
30.2 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.000 |
51 |
|
A |
3 |
1 |
18216 |
◊ |
[MG]A:1471 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
98 |
29.8 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
30.0 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 46 |
52 |
|
[SO4]D:1473 |
3 |
1 |
186 |
f |
[SO4]D:1470 |
x,y,z |
1_555 |
3 |
1 |
185 |
28.0 |
-6.2 |
0.992 |
0 |
0 |
0 |
0.007 |
| 47 |
53 |
|
[SO4]A:1473 |
3 |
1 |
186 |
f |
[SO4]A:1470 |
x,y,z |
1_555 |
3 |
1 |
185 |
19.2 |
-4.3 |
0.992 |
0 |
0 |
0 |
0.023 |
| 48 |
54 |
|
[SO4]C:1471 |
4 |
1 |
185 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
4 |
2 |
18236 |
19.1 |
-2.3 |
0.708 |
0 |
0 |
0 |
0.001 |
| 49 |
55 |
|
A |
4 |
2 |
18216 |
◊ |
[SO4]B:1469 |
x-1,y,z |
1_455 |
2 |
1 |
185 |
18.9 |
-2.5 |
0.701 |
0 |
0 |
0 |
0.013 |
| 50 |
56 |
|
D |
3 |
1 |
18236 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
18216 |
12.8 |
0.3 |
0.771 |
0 |
0 |
0 |
0.000 |
| 51 |
57 |
|
[SO4]A:1468 |
1 |
1 |
185 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
2 |
18223 |
10.7 |
-1.2 |
0.741 |
0 |
0 |
0 |
0.006 |
| 52 |
58 |
|
[SO4]C:1471 |
1 |
1 |
185 |
f |
[SO4]C:1469 |
x,y,z |
1_555 |
2 |
1 |
185 |
8.6 |
-2.1 |
0.876 |
0 |
0 |
0 |
0.003 |
| 53 |
59 |
|
C |
1 |
1 |
18216 |
◊ |
[SO4]D:1468 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
187 |
5.7 |
-0.6 |
0.787 |
0 |
0 |
0 |
0.000 |
| 54 |
60 |
|
[SO4]D:1467 |
1 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
18216 |
3.1 |
-0.4 |
0.749 |
0 |
0 |
0 |
0.000 |
| 55 |
61 |
|
[SO4]C:1469 |
1 |
1 |
185 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
2 |
2 |
18236 |
2.7 |
-0.3 |
0.718 |
0 |
0 |
0 |
0.000 |
| 56 |
62 |
|
B |
1 |
1 |
18223 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
18236 |
2.3 |
0.0 |
0.539 |
0 |
0 |
0 |
0.000 |
| 57 |
63 |
|
[SO4]C:1470 |
1 |
1 |
186 |
f |
[SO4]C:1466 |
x,y,z |
1_555 |
1 |
1 |
186 |
2.0 |
-0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
| 58 |
64 |
|
[SO4]A:1474 |
1 |
1 |
185 |
f |
[SO4]A:1467 |
x,y,z |
1_555 |
1 |
1 |
185 |
1.6 |
-0.4 |
1.000 |
0 |
0 |
0 |
0.002 |
| 59 |
65 |
|
A |
1 |
1 |
18216 |
◊ |
[SO4]A:1470 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
185 |
1.2 |
-0.1 |
0.838 |
0 |
0 |
0 |
0.000 |
| 60 |
66 |
|
[SO4]B:1471 |
1 |
1 |
185 |
f |
[SO4]B:1466 |
x,y,z |
1_555 |
1 |
1 |
185 |
0.3 |
-0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
|