## |
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 |
71 |
20 |
17151 |
x |
B |
x,y,z-1 |
1_554 |
76 |
24 |
17151 |
702.5 |
2.4 |
0.653 |
13 |
9 |
0 |
0.000 |
2 |
|
A |
72 |
23 |
17681 |
x |
A |
x,y,z-1 |
1_554 |
66 |
20 |
17681 |
671.0 |
2.1 |
0.745 |
13 |
10 |
0 |
0.000 |
Average: |
686.8 |
2.3 |
0.699 |
13 |
10 |
0 |
0.000 |
2 |
3 |
|
B |
85 |
24 |
17151 |
◊ |
A |
-x-3,-y,z |
4_255 |
61 |
20 |
17681 |
670.4 |
-10.3 |
0.055 |
3 |
2 |
0 |
0.020 |
3 |
4 |
|
A |
53 |
16 |
17681 |
◊ |
A |
-x-3,-y,z |
4_255 |
53 |
16 |
17681 |
560.5 |
-5.5 |
0.206 |
4 |
0 |
0 |
0.000 |
4 |
5 |
|
A |
49 |
10 |
17681 |
◊ |
B |
x-y,x+2,z |
6_575 |
47 |
10 |
17151 |
430.8 |
-2.4 |
0.417 |
6 |
2 |
0 |
0.010 |
5 |
6 |
|
B |
27 |
8 |
17151 |
x |
B |
-y-2,x-y+1,z |
2_365 |
27 |
7 |
17151 |
258.1 |
-1.9 |
0.378 |
2 |
2 |
0 |
0.011 |
6 |
7 |
|
[SO4]A:519 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
17681 |
121.5 |
-17.7 |
0.624 |
1 |
0 |
0 |
0.032 |
7 |
8 |
|
[SO4]A:507 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
17681 |
120.3 |
-16.4 |
0.666 |
2 |
0 |
0 |
0.031 |
8 |
9 |
|
[SO4]B:501 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
23 |
12 |
17151 |
115.2 |
-18.2 |
0.654 |
4 |
0 |
0 |
0.069 |
9 |
10 |
|
[SO4]A:501 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
25 |
13 |
17681 |
114.4 |
-18.5 |
0.673 |
3 |
0 |
0 |
0.035 |
10 |
11 |
|
[SO4]B:506 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
17151 |
112.1 |
-16.1 |
0.780 |
5 |
0 |
0 |
0.064 |
11 |
12 |
|
[SO4]A:511 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
17681 |
110.7 |
-16.3 |
0.771 |
5 |
0 |
0 |
0.033 |
12 |
13 |
|
[SO4]B:511 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
20 |
6 |
17151 |
110.1 |
-17.0 |
0.623 |
0 |
0 |
0 |
0.059 |
13 |
14 |
|
[SO4]A:513 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
17681 |
105.9 |
-15.0 |
0.629 |
2 |
0 |
0 |
0.028 |
14 |
15 |
|
[SO4]A:506 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
17681 |
104.6 |
-15.7 |
0.627 |
0 |
0 |
0 |
0.028 |
15 |
16 |
|
[SO4]A:505 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
17681 |
103.6 |
-15.8 |
0.670 |
1 |
0 |
0 |
0.029 |
16 |
17 |
|
[SO4]B:503 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
17151 |
102.4 |
-15.3 |
0.612 |
0 |
0 |
0 |
0.053 |
17 |
18 |
|
[SO4]B:502 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
17151 |
101.5 |
-15.6 |
0.650 |
1 |
0 |
0 |
0.056 |
18 |
19 |
|
[SO4]B:505 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
17151 |
101.2 |
-16.9 |
0.572 |
1 |
0 |
0 |
0.060 |
19 |
20 |
|
[SO4]A:508 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
17681 |
101.1 |
-15.9 |
0.653 |
2 |
0 |
0 |
0.030 |
20 |
21 |
|
[SO4]B:504 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
17151 |
100.8 |
-13.9 |
0.700 |
1 |
0 |
0 |
0.050 |
21 |
22 |
|
[IOD]A:521 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
17681 |
99.3 |
-1.3 |
0.421 |
0 |
0 |
0 |
0.002 |
22 |
23 |
|
[SO4]B:515 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
17151 |
98.5 |
-14.5 |
0.592 |
3 |
0 |
0 |
0.055 |
23 |
24 |
|
[IOD]B:521 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
24 |
12 |
17151 |
93.5 |
0.0 |
0.736 |
0 |
0 |
0 |
0.000 |
25 |
|
[IOD]A:522 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
21 |
11 |
17681 |
92.5 |
0.1 |
0.756 |
0 |
0 |
0 |
0.000 |
Average: |
93.0 |
0.0 |
0.746 |
0 |
0 |
0 |
0.000 |
24 |
26 |
|
[IOD]A:520 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
19 |
11 |
17681 |
92.4 |
-1.0 |
0.487 |
0 |
0 |
0 |
0.003 |
27 |
|
[IOD]B:520 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
20 |
11 |
17151 |
89.3 |
-0.9 |
0.494 |
0 |
0 |
0 |
0.003 |
Average: |
90.8 |
-1.0 |
0.490 |
0 |
0 |
0 |
0.003 |
25 |
28 |
|
[SO4]A:509 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
17681 |
92.1 |
-13.7 |
0.568 |
3 |
0 |
0 |
0.027 |
26 |
29 |
|
[SO4]A:517 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
17681 |
90.9 |
-12.4 |
0.809 |
3 |
0 |
0 |
0.024 |
27 |
30 |
|
[SO4]A:512 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
5 |
17681 |
90.5 |
-13.7 |
0.639 |
1 |
0 |
0 |
0.025 |
28 |
31 |
|
[SO4]B:510 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
17151 |
86.8 |
-12.3 |
0.843 |
5 |
0 |
0 |
0.051 |
29 |
32 |
|
[SO4]A:516 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
17681 |
85.7 |
-12.6 |
0.635 |
1 |
0 |
0 |
0.023 |
30 |
33 |
|
[SO4]A:504 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
17681 |
85.7 |
-13.5 |
0.605 |
3 |
0 |
0 |
0.026 |
31 |
34 |
|
[IOD]B:522 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
17151 |
84.0 |
0.2 |
0.755 |
0 |
0 |
0 |
0.000 |
35 |
|
[IOD]A:523 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
17681 |
82.9 |
-0.0 |
0.732 |
0 |
0 |
0 |
0.000 |
Average: |
83.4 |
0.1 |
0.743 |
0 |
0 |
0 |
0.000 |
32 |
36 |
|
[SO4]B:509 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
17151 |
83.5 |
-11.4 |
0.811 |
4 |
0 |
0 |
0.046 |
33 |
37 |
|
[SO4]A:503 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
17681 |
82.0 |
-12.6 |
0.497 |
1 |
0 |
0 |
0.023 |
34 |
38 |
|
[SO4]B:513 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
17151 |
80.9 |
-11.9 |
0.653 |
1 |
0 |
0 |
0.043 |
35 |
39 |
|
[SO4]B:519 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
17151 |
80.3 |
-10.2 |
0.857 |
3 |
0 |
0 |
0.040 |
36 |
40 |
|
[SO4]A:518 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
17681 |
75.4 |
-11.1 |
0.705 |
2 |
0 |
0 |
0.021 |
37 |
41 |
|
[SO4]B:512 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
17151 |
73.4 |
-10.3 |
0.719 |
3 |
0 |
0 |
0.040 |
38 |
42 |
|
[SO4]A:514 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
17681 |
72.9 |
-11.1 |
0.684 |
2 |
0 |
0 |
0.021 |
39 |
43 |
|
[SO4]B:508 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
17151 |
72.8 |
-10.6 |
0.545 |
2 |
0 |
0 |
0.040 |
40 |
44 |
|
[SO4]A:502 |
5 |
1 |
184 |
f |
B |
x-y,x+2,z |
6_575 |
15 |
3 |
17151 |
71.5 |
-9.2 |
0.717 |
2 |
0 |
0 |
0.035 |
41 |
45 |
|
[SO4]B:517 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
17151 |
70.3 |
-9.6 |
0.749 |
2 |
0 |
0 |
0.036 |
42 |
46 |
|
A |
9 |
4 |
17681 |
◊ |
B |
x,y,z-1 |
1_554 |
7 |
3 |
17151 |
69.4 |
-0.6 |
0.414 |
1 |
0 |
0 |
0.000 |
43 |
47 |
|
[SO4]B:518 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
17151 |
68.6 |
-9.5 |
0.826 |
1 |
0 |
0 |
0.035 |
44 |
48 |
|
[SO4]A:510 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
17681 |
68.2 |
-10.1 |
0.540 |
1 |
0 |
0 |
0.019 |
45 |
49 |
|
[SO4]B:507 |
4 |
1 |
186 |
◊ |
B |
x,y,z-1 |
1_554 |
10 |
4 |
17151 |
67.4 |
-8.3 |
0.829 |
2 |
0 |
0 |
0.000 |
46 |
50 |
|
[SO4]B:519 |
5 |
1 |
185 |
◊ |
A |
-x-3,-y,z |
4_255 |
11 |
3 |
17681 |
66.6 |
-9.0 |
0.602 |
0 |
0 |
0 |
0.015 |
47 |
51 |
|
[SO4]A:502 |
5 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
14 |
3 |
17681 |
66.4 |
-8.5 |
0.730 |
3 |
0 |
0 |
0.017 |
48 |
52 |
|
[SO4]B:507 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
17151 |
65.8 |
-9.3 |
0.506 |
2 |
0 |
0 |
0.035 |
49 |
53 |
|
[SO4]A:515 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
17681 |
63.5 |
-8.2 |
0.897 |
2 |
0 |
0 |
0.016 |
50 |
54 |
|
B |
9 |
4 |
17151 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
17681 |
60.0 |
-1.2 |
0.152 |
0 |
0 |
0 |
0.000 |
51 |
55 |
|
A |
8 |
4 |
17681 |
◊ |
[SO4]A:510 |
x,y,z-1 |
1_554 |
4 |
1 |
184 |
57.9 |
-7.2 |
0.804 |
1 |
0 |
0 |
0.000 |
52 |
56 |
|
[SO4]B:516 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
17151 |
57.1 |
-7.4 |
0.901 |
2 |
0 |
0 |
0.029 |
53 |
57 |
|
[SO4]B:514 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
17151 |
56.3 |
-7.4 |
0.743 |
2 |
0 |
0 |
0.029 |
54 |
58 |
|
A |
8 |
4 |
17681 |
◊ |
[SO4]A:512 |
x,y,z-1 |
1_554 |
4 |
1 |
185 |
50.7 |
-6.9 |
0.655 |
0 |
0 |
0 |
0.000 |
55 |
59 |
|
[SO4]B:514 |
4 |
1 |
184 |
f |
B |
-y-2,x-y+1,z |
2_365 |
7 |
2 |
17151 |
50.3 |
-6.2 |
0.725 |
0 |
0 |
0 |
0.021 |
56 |
60 |
|
[SO4]A:504 |
5 |
1 |
184 |
◊ |
B |
-x-3,-y,z |
4_255 |
7 |
2 |
17151 |
47.2 |
-6.7 |
0.643 |
1 |
0 |
0 |
0.012 |
57 |
61 |
|
[SO4]A:514 |
4 |
1 |
185 |
◊ |
A |
x,y,z-1 |
1_554 |
5 |
3 |
17681 |
44.1 |
-4.9 |
0.887 |
0 |
0 |
0 |
0.000 |
58 |
62 |
|
B |
4 |
3 |
17151 |
◊ |
[SO4]B:513 |
x,y,z-1 |
1_554 |
3 |
1 |
185 |
41.2 |
-5.1 |
0.915 |
1 |
0 |
0 |
0.000 |
59 |
63 |
|
[SO4]B:515 |
3 |
1 |
185 |
◊ |
B |
x,y,z-1 |
1_554 |
6 |
2 |
17151 |
37.9 |
-4.7 |
0.728 |
0 |
0 |
0 |
0.000 |
60 |
64 |
|
A |
5 |
1 |
17681 |
◊ |
[SO4]A:509 |
x,y,z-1 |
1_554 |
4 |
1 |
185 |
37.1 |
-4.6 |
0.719 |
0 |
0 |
0 |
0.000 |
61 |
65 |
|
[SO4]B:504 |
3 |
1 |
185 |
◊ |
A |
-x-3,-y,z |
4_255 |
5 |
1 |
17681 |
36.9 |
-4.5 |
0.694 |
1 |
0 |
0 |
0.008 |
62 |
66 |
|
A |
6 |
3 |
17681 |
◊ |
[SO4]A:511 |
x,y,z-1 |
1_554 |
4 |
1 |
184 |
32.7 |
-3.9 |
0.767 |
1 |
0 |
0 |
0.000 |
63 |
67 |
|
A |
2 |
1 |
17681 |
◊ |
[SO4]B:514 |
x-y,x+2,z |
6_575 |
3 |
1 |
184 |
29.3 |
-3.2 |
0.929 |
0 |
0 |
0 |
0.005 |
64 |
68 |
|
[SO4]B:506 |
3 |
1 |
185 |
◊ |
B |
x,y,z-1 |
1_554 |
3 |
2 |
17151 |
29.3 |
-3.4 |
0.870 |
0 |
0 |
0 |
0.000 |
65 |
69 |
|
[SO4]B:516 |
4 |
1 |
184 |
◊ |
[SO4]B:513 |
x,y,z-1 |
1_554 |
3 |
1 |
185 |
28.7 |
-6.3 |
0.995 |
0 |
0 |
0 |
0.000 |
66 |
70 |
|
[IOD]B:521 |
1 |
1 |
144 |
f |
[SO4]B:501 |
x,y,z |
1_555 |
4 |
1 |
184 |
25.4 |
-2.6 |
0.999 |
0 |
0 |
0 |
0.009 |
67 |
71 |
|
[SO4]B:510 |
3 |
1 |
186 |
◊ |
B |
-y-2,x-y+1,z |
2_365 |
2 |
1 |
17151 |
24.6 |
-2.9 |
0.734 |
0 |
0 |
0 |
0.010 |
68 |
72 |
|
[SO4]A:502 |
3 |
1 |
184 |
◊ |
[SO4]B:514 |
x-y,x+2,z |
6_575 |
3 |
1 |
184 |
24.6 |
-5.7 |
0.992 |
0 |
0 |
0 |
0.020 |
69 |
73 |
|
[IOD]A:522 |
1 |
1 |
144 |
f |
[SO4]A:501 |
x,y,z |
1_555 |
4 |
1 |
185 |
22.8 |
-2.3 |
0.999 |
0 |
0 |
0 |
0.004 |
70 |
74 |
|
[SO4]A:513 |
3 |
1 |
185 |
f |
[SO4]A:507 |
x,y,z |
1_555 |
4 |
1 |
185 |
22.8 |
-5.1 |
0.995 |
0 |
0 |
0 |
0.009 |
71 |
75 |
|
B |
3 |
1 |
17151 |
◊ |
[SO4]B:512 |
x,y,z-1 |
1_554 |
1 |
1 |
186 |
19.6 |
-2.4 |
0.776 |
0 |
0 |
0 |
0.000 |
72 |
76 |
|
[SO4]A:518 |
1 |
1 |
185 |
◊ |
A |
x,y,z-1 |
1_554 |
3 |
1 |
17681 |
18.8 |
-2.1 |
0.817 |
0 |
0 |
0 |
0.000 |
73 |
77 |
|
[SO4]A:514 |
3 |
1 |
185 |
◊ |
[SO4]A:510 |
x,y,z-1 |
1_554 |
1 |
1 |
184 |
14.0 |
-3.3 |
0.891 |
0 |
0 |
0 |
0.000 |
74 |
78 |
|
[SO4]B:519 |
3 |
1 |
185 |
◊ |
[SO4]A:504 |
-x-3,-y,z |
4_255 |
3 |
1 |
184 |
12.7 |
-3.0 |
0.992 |
0 |
0 |
0 |
0.005 |
75 |
79 |
|
[SO4]A:516 |
1 |
1 |
187 |
f |
[SO4]A:507 |
x,y,z |
1_555 |
2 |
1 |
185 |
10.3 |
-2.5 |
0.876 |
0 |
0 |
0 |
0.004 |
76 |
80 |
|
[SO4]A:502 |
1 |
1 |
184 |
◊ |
B |
-x-3,-y,z |
4_255 |
2 |
1 |
17151 |
9.9 |
-0.9 |
0.766 |
0 |
0 |
0 |
0.003 |
77 |
81 |
|
[SO4]A:519 |
1 |
1 |
185 |
f |
[SO4]A:507 |
x,y,z |
1_555 |
2 |
1 |
185 |
9.6 |
-2.3 |
0.876 |
0 |
0 |
0 |
0.004 |
78 |
82 |
|
B |
1 |
1 |
17151 |
◊ |
[SO4]B:518 |
x,y,z-1 |
1_554 |
2 |
1 |
184 |
9.6 |
-0.7 |
0.946 |
0 |
0 |
0 |
0.000 |
79 |
83 |
|
[SO4]A:516 |
1 |
1 |
187 |
f |
[SO4]A:513 |
x,y,z |
1_555 |
1 |
1 |
185 |
9.3 |
-2.2 |
0.800 |
0 |
0 |
0 |
0.004 |
80 |
84 |
|
[SO4]B:507 |
2 |
1 |
186 |
◊ |
[SO4]B:513 |
x,y,z-1 |
1_554 |
2 |
1 |
185 |
6.0 |
-1.4 |
0.960 |
0 |
0 |
0 |
0.000 |
81 |
85 |
|
[SO4]A:518 |
1 |
1 |
185 |
◊ |
[SO4]A:512 |
x,y,z-1 |
1_554 |
2 |
1 |
185 |
5.2 |
-1.3 |
0.876 |
0 |
0 |
0 |
0.000 |
82 |
86 |
|
[IOD]B:522 |
1 |
1 |
144 |
◊ |
A |
-x-3,-y,z |
4_255 |
2 |
1 |
17681 |
5.1 |
-0.1 |
0.687 |
0 |
0 |
0 |
0.000 |
83 |
87 |
|
[IOD]A:523 |
1 |
1 |
144 |
f |
[SO4]A:503 |
x,y,z |
1_555 |
1 |
1 |
187 |
2.8 |
-0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
84 |
88 |
|
[SO4]A:515 |
2 |
1 |
185 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
17681 |
1.1 |
-0.1 |
0.859 |
0 |
0 |
0 |
0.000 |
85 |
89 |
|
[SO4]B:516 |
1 |
1 |
184 |
◊ |
B |
x,y,z-1 |
1_554 |
1 |
1 |
17151 |
0.6 |
-0.1 |
0.811 |
0 |
0 |
0 |
0.000 |
|