| ## |
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 |
84 |
32 |
18090 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
81 |
29 |
18054 |
714.4 |
-5.4 |
0.288 |
6 |
4 |
0 |
0.000 |
| 2 |
2 |
|
A |
70 |
22 |
18078 |
◊ |
B |
x-1,y,z |
1_455 |
61 |
20 |
18090 |
606.8 |
-7.1 |
0.126 |
4 |
1 |
0 |
0.005 |
3 |
|
C |
63 |
22 |
18054 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
69 |
25 |
18383 |
599.6 |
-7.9 |
0.097 |
2 |
0 |
0 |
0.005 |
| Average: |
603.2 |
-7.5 |
0.112 |
3 |
1 |
0 |
0.005 |
| 3 |
4 |
|
D |
64 |
23 |
18383 |
x |
D |
-x+1,y-1/2,-z |
2_645 |
61 |
19 |
18383 |
585.4 |
-4.5 |
0.270 |
2 |
1 |
0 |
0.000 |
| 4 |
5 |
|
A |
63 |
21 |
18078 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
59 |
22 |
18078 |
573.7 |
-4.6 |
0.294 |
5 |
2 |
0 |
0.000 |
| 5 |
6 |
|
D |
36 |
11 |
18383 |
◊ |
B |
x,y,z |
1_555 |
40 |
12 |
18090 |
367.3 |
1.0 |
0.734 |
3 |
3 |
0 |
0.000 |
| 6 |
7 |
|
B |
34 |
8 |
18090 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
46 |
13 |
18054 |
359.4 |
2.2 |
0.833 |
2 |
0 |
0 |
0.000 |
| 7 |
8 |
|
B |
42 |
12 |
18090 |
◊ |
A |
x,y,z |
1_555 |
39 |
12 |
18078 |
352.0 |
-1.6 |
0.478 |
3 |
2 |
0 |
0.000 |
| 8 |
9 |
|
B |
29 |
13 |
18090 |
◊ |
D |
x,y-1,z |
1_545 |
31 |
11 |
18383 |
315.4 |
-1.3 |
0.473 |
3 |
4 |
0 |
0.000 |
10 |
|
A |
31 |
10 |
18078 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
29 |
11 |
18054 |
291.5 |
-1.8 |
0.400 |
3 |
5 |
0 |
0.000 |
| Average: |
303.4 |
-1.6 |
0.436 |
3 |
5 |
0 |
0.000 |
| 9 |
11 |
|
A |
33 |
13 |
18078 |
◊ |
D |
x,y-1,z |
1_545 |
32 |
13 |
18383 |
292.0 |
-3.3 |
0.238 |
2 |
0 |
0 |
0.000 |
| 10 |
12 |
|
[BO8]C:500 |
17 |
1 |
459 |
cf |
C |
x,y,z |
1_555 |
43 |
15 |
18054 |
282.1 |
-1.4 |
0.520 |
10 |
0 |
0 |
0.008 |
13 |
|
[BO8]B:500 |
17 |
1 |
457 |
cf |
B |
x,y,z |
1_555 |
38 |
14 |
18090 |
281.5 |
-1.3 |
0.500 |
10 |
0 |
0 |
0.008 |
| Average: |
281.8 |
-1.4 |
0.510 |
10 |
0 |
0 |
0.008 |
| 11 |
14 |
|
C |
23 |
10 |
18054 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
30 |
11 |
18383 |
208.7 |
-0.2 |
0.620 |
6 |
0 |
0 |
0.000 |
| 12 |
15 |
|
[MES]D:1467 |
11 |
1 |
336 |
◊ |
D |
x,y,z |
1_555 |
26 |
9 |
18383 |
167.9 |
6.6 |
0.332 |
0 |
0 |
0 |
0.000 |
| 13 |
16 |
|
D |
21 |
9 |
18383 |
◊ |
C |
x,y,z |
1_555 |
15 |
6 |
18054 |
122.7 |
-0.4 |
0.498 |
2 |
0 |
0 |
0.000 |
| 14 |
17 |
|
B |
10 |
3 |
18090 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
13 |
6 |
18090 |
111.8 |
0.2 |
0.574 |
0 |
0 |
0 |
0.000 |
| 15 |
18 |
|
C |
12 |
3 |
18054 |
x |
C |
-x,y-1/2,-z |
2_545 |
19 |
6 |
18054 |
110.4 |
0.1 |
0.597 |
2 |
0 |
0 |
0.000 |
| 16 |
19 |
|
[SO4]B:600 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
18090 |
101.0 |
-16.1 |
0.643 |
2 |
0 |
0 |
0.023 |
| 17 |
20 |
|
[SO4]A:600 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
18078 |
100.4 |
-16.3 |
0.704 |
4 |
0 |
0 |
0.022 |
| 18 |
21 |
|
[SO4]D:600 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
16 |
7 |
18383 |
100.4 |
-16.3 |
0.685 |
3 |
0 |
0 |
0.022 |
| 19 |
22 |
|
[SO4]C:600 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
15 |
8 |
18054 |
100.3 |
-16.0 |
0.614 |
3 |
0 |
0 |
0.023 |
| 20 |
23 |
|
[SO4]C:604 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
18054 |
94.6 |
-14.5 |
0.689 |
3 |
0 |
0 |
0.021 |
| 21 |
24 |
|
[SO4]A:604 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
18078 |
93.8 |
-14.0 |
0.696 |
4 |
0 |
0 |
0.019 |
| 22 |
25 |
|
[SO4]D:604 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
15 |
5 |
18383 |
91.9 |
-13.7 |
0.683 |
3 |
0 |
0 |
0.019 |
| 23 |
26 |
|
[SO4]B:604 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
18090 |
90.7 |
-13.7 |
0.655 |
3 |
0 |
0 |
0.020 |
| 24 |
27 |
|
[SO4]D:601 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
15 |
5 |
18383 |
81.7 |
-10.5 |
0.922 |
2 |
0 |
0 |
0.014 |
| 25 |
28 |
|
[SO4]B:601 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
18090 |
79.5 |
-9.7 |
0.950 |
2 |
0 |
0 |
0.014 |
| 26 |
29 |
|
A |
8 |
4 |
18078 |
◊ |
C |
-x,y-3/2,-z |
2_535 |
13 |
4 |
18054 |
77.7 |
1.7 |
0.881 |
0 |
0 |
0 |
0.000 |
| 27 |
30 |
|
[SO4]A:601 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
18078 |
77.2 |
-9.4 |
0.953 |
2 |
0 |
0 |
0.012 |
| 28 |
31 |
|
[SO4]B:603 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
18090 |
77.1 |
-12.0 |
0.575 |
1 |
0 |
0 |
0.017 |
| 29 |
32 |
|
[SO4]C:601 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
18054 |
76.8 |
-9.6 |
0.939 |
3 |
0 |
0 |
0.014 |
| 30 |
33 |
|
[SO4]D:603 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
18383 |
75.7 |
-11.6 |
0.627 |
3 |
0 |
0 |
0.016 |
| 31 |
34 |
|
[SO4]C:603 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
18054 |
75.5 |
-11.5 |
0.653 |
3 |
0 |
0 |
0.017 |
| 32 |
35 |
|
[SO4]A:603 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
18078 |
75.1 |
-11.4 |
0.658 |
2 |
0 |
0 |
0.015 |
| 33 |
36 |
|
[SO4]A:602 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
18078 |
65.7 |
-8.5 |
0.853 |
2 |
0 |
0 |
0.011 |
| 34 |
37 |
|
[SO4]B:602 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
18090 |
64.9 |
-8.3 |
0.852 |
2 |
0 |
0 |
0.012 |
| 35 |
38 |
|
[SO4]C:602 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
18054 |
62.2 |
-7.5 |
0.877 |
2 |
0 |
0 |
0.011 |
| 36 |
39 |
|
[SO4]D:602 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
18383 |
61.3 |
-7.7 |
0.843 |
2 |
0 |
0 |
0.011 |
| 37 |
40 |
|
[CO]D:610 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
18383 |
58.3 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.011 |
41 |
|
[CO]A:610 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
18078 |
56.8 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.011 |
| Average: |
57.5 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.011 |
| 38 |
42 |
|
[CO]A:611 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
18078 |
57.2 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.011 |
43 |
|
[CO]D:611 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
18383 |
50.5 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.011 |
| Average: |
53.8 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.011 |
| 39 |
44 |
|
[CO]D:611 |
1 |
1 |
125 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
11 |
5 |
18383 |
51.9 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.000 |
45 |
|
[CO]A:611 |
1 |
1 |
125 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
4 |
2 |
18078 |
32.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
42.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 40 |
46 |
|
[MES]D:1467 |
4 |
1 |
336 |
f |
D |
-x+1,y-1/2,-z |
2_645 |
9 |
4 |
18383 |
42.8 |
0.4 |
0.063 |
0 |
0 |
0 |
0.000 |
| 41 |
47 |
|
[BO8]C:500 |
6 |
1 |
459 |
f |
[SO4]C:600 |
x,y,z |
1_555 |
4 |
1 |
184 |
42.7 |
-4.2 |
0.868 |
0 |
0 |
0 |
0.006 |
| 42 |
48 |
|
[BO8]B:500 |
6 |
1 |
457 |
f |
[SO4]B:600 |
x,y,z |
1_555 |
4 |
1 |
185 |
41.6 |
-4.2 |
0.844 |
0 |
0 |
0 |
0.006 |
| 43 |
49 |
|
A |
3 |
1 |
18078 |
◊ |
[CO]A:610 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
125 |
34.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.000 |
50 |
|
D |
4 |
2 |
18383 |
◊ |
[CO]D:610 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
125 |
34.5 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
34.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 44 |
51 |
|
A |
4 |
1 |
18078 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
1 |
18090 |
30.8 |
-0.2 |
0.431 |
0 |
0 |
0 |
0.000 |
| 45 |
52 |
|
B |
5 |
3 |
18090 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
2 |
18383 |
20.2 |
0.2 |
0.676 |
0 |
0 |
0 |
0.000 |
| 46 |
53 |
|
[SO4]A:602 |
2 |
1 |
184 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
3 |
18090 |
15.7 |
-1.7 |
0.825 |
0 |
0 |
0 |
0.001 |
| 47 |
54 |
|
[SO4]A:600 |
2 |
1 |
185 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
18090 |
12.7 |
-1.2 |
0.924 |
0 |
0 |
0 |
0.000 |
| 48 |
55 |
|
C |
1 |
1 |
18054 |
◊ |
[SO4]D:600 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
185 |
6.8 |
-0.7 |
0.810 |
0 |
0 |
0 |
0.000 |
| 49 |
56 |
|
A |
2 |
2 |
18078 |
◊ |
[SO4]B:604 |
x-1,y,z |
1_455 |
2 |
1 |
185 |
6.8 |
-0.8 |
0.813 |
0 |
0 |
0 |
0.000 |
| 50 |
57 |
|
C |
1 |
1 |
18054 |
◊ |
[SO4]D:602 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
186 |
1.4 |
-0.1 |
0.826 |
0 |
0 |
0 |
0.000 |
| 51 |
58 |
|
[SO4]C:604 |
1 |
1 |
186 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
18383 |
1.2 |
-0.2 |
0.680 |
0 |
0 |
0 |
0.000 |
| 52 |
59 |
|
B |
1 |
1 |
18090 |
◊ |
[BO8]C:500 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
459 |
0.5 |
-0.0 |
0.531 |
0 |
0 |
0 |
0.000 |
|