## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
B |
61 |
20 |
6911 |
◊ |
A |
x,y,z |
1_555 |
60 |
20 |
7238 |
572.4 |
-5.1 |
0.335 |
7 |
2 |
0 |
0.032 |
2 |
|
C |
61 |
19 |
7317 |
◊ |
C |
-y,-x,-z |
8_555 |
62 |
19 |
7317 |
536.4 |
0.2 |
0.654 |
4 |
4 |
0 |
0.003 |
3 |
|
C |
55 |
16 |
7317 |
◊ |
C |
-x+1,-y-1,z |
2_645 |
55 |
16 |
7317 |
498.9 |
-6.3 |
0.190 |
0 |
0 |
0 |
0.007 |
4 |
|
B |
56 |
17 |
6911 |
◊ |
A |
-y,-x,-z+1 |
8_556 |
41 |
13 |
7238 |
418.9 |
1.4 |
0.764 |
4 |
5 |
0 |
0.004 |
5 |
|
B |
43 |
12 |
6911 |
◊ |
C |
-y-1/2,x-1/2,z |
3_445 |
38 |
11 |
7317 |
369.1 |
-5.5 |
0.189 |
1 |
0 |
0 |
0.013 |
6 |
|
B |
39 |
11 |
6911 |
◊ |
A |
-y,-x,-z |
8_555 |
37 |
8 |
7238 |
312.4 |
-6.3 |
0.123 |
0 |
0 |
0 |
0.023 |
7 |
|
C |
39 |
11 |
7317 |
◊ |
A |
x,y,z |
1_555 |
33 |
9 |
7238 |
281.4 |
-2.0 |
0.419 |
2 |
0 |
0 |
0.010 |
8 |
|
C |
36 |
11 |
7317 |
◊ |
A |
-y+1/2,x-1/2,z |
3_545 |
37 |
12 |
7238 |
275.3 |
3.5 |
0.860 |
2 |
0 |
0 |
0.000 |
9 |
|
A |
15 |
5 |
7238 |
◊ |
A |
-y,-x,-z |
8_555 |
16 |
5 |
7238 |
133.9 |
1.6 |
0.786 |
2 |
0 |
0 |
0.000 |
10 |
|
[SO4]A:502 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
21 |
10 |
7238 |
120.9 |
-17.9 |
0.615 |
3 |
0 |
0 |
0.071 |
11 |
|
[SO4]C:506 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
25 |
9 |
7317 |
116.4 |
-17.5 |
0.664 |
3 |
0 |
0 |
0.065 |
12 |
|
[SO4]C:504 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
20 |
8 |
7317 |
113.6 |
-16.7 |
0.660 |
4 |
0 |
0 |
0.064 |
13 |
|
B |
15 |
9 |
6911 |
◊ |
B |
-y,-x,-z+1 |
8_556 |
15 |
9 |
6911 |
108.6 |
2.5 |
0.888 |
0 |
2 |
0 |
0.000 |
14 |
|
[SO4]B:501 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
6911 |
107.5 |
-15.9 |
0.706 |
4 |
0 |
0 |
0.148 |
15 |
|
[SO4]A:507 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
7238 |
104.0 |
-13.3 |
0.774 |
2 |
0 |
0 |
0.052 |
16 |
|
[SO4]B:505 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
6911 |
101.3 |
-14.5 |
0.923 |
2 |
0 |
0 |
0.129 |
17 |
|
[SO4]A:509 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
7238 |
100.5 |
-14.6 |
0.916 |
3 |
0 |
0 |
0.059 |
18 |
|
[SO4]C:509 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
17 |
5 |
7317 |
96.5 |
-12.4 |
0.763 |
2 |
0 |
0 |
0.046 |
19 |
|
[SO4]C:502 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
7317 |
92.2 |
-11.9 |
0.909 |
5 |
0 |
0 |
0.049 |
20 |
|
[SO4]A:501 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
7238 |
90.1 |
-11.2 |
0.923 |
5 |
0 |
0 |
0.050 |
21 |
|
[SO4]A:511 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
7238 |
82.5 |
-12.1 |
0.765 |
2 |
0 |
0 |
0.048 |
22 |
|
[SO4]A:505 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
7238 |
81.5 |
-12.0 |
0.705 |
4 |
0 |
0 |
0.051 |
23 |
|
[SO4]C:507 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
3 |
7317 |
81.3 |
-11.8 |
0.694 |
3 |
0 |
0 |
0.045 |
24 |
|
[SO4]B:502 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
6911 |
80.3 |
-10.5 |
0.879 |
3 |
0 |
0 |
0.099 |
25 |
|
[SO4]B:504 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
6911 |
78.3 |
-10.9 |
0.803 |
2 |
0 |
0 |
0.099 |
26 |
|
[SO4]B:508 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
6911 |
76.0 |
-9.1 |
0.907 |
2 |
0 |
0 |
0.084 |
27 |
|
[SO4]A:506 |
5 |
1 |
185 |
f |
B |
-y,-x,-z+1 |
8_556 |
13 |
6 |
6911 |
75.4 |
-11.2 |
0.716 |
3 |
0 |
0 |
0.106 |
28 |
|
[SO4]B:509 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
6911 |
75.0 |
-9.1 |
0.940 |
2 |
0 |
0 |
0.084 |
29 |
|
[SO4]B:509 |
5 |
1 |
185 |
◊ |
B |
-y,-x,-z+1 |
8_556 |
9 |
4 |
6911 |
74.8 |
-9.1 |
0.939 |
2 |
0 |
0 |
0.084 |
30 |
|
[SO4]C:501 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
7317 |
72.4 |
-9.1 |
0.824 |
7 |
0 |
0 |
0.042 |
31 |
|
[SO4]C:503 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
7317 |
72.1 |
-10.4 |
0.631 |
2 |
0 |
0 |
0.039 |
32 |
|
[SO4]A:510 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
7238 |
71.9 |
-10.4 |
0.685 |
1 |
0 |
0 |
0.040 |
33 |
|
[SO4]B:503 |
5 |
1 |
185 |
f |
A |
-y,-x,-z+1 |
8_556 |
10 |
4 |
7238 |
70.4 |
-9.4 |
0.871 |
3 |
0 |
0 |
0.040 |
34 |
|
[SO4]A:504 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
7238 |
66.7 |
-9.6 |
0.631 |
2 |
0 |
0 |
0.039 |
35 |
|
[SO4]C:505 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
7317 |
66.0 |
-8.9 |
0.623 |
3 |
0 |
0 |
0.035 |
36 |
|
[SO4]C:508 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
7317 |
65.4 |
-9.0 |
0.695 |
1 |
0 |
0 |
0.032 |
37 |
|
[SO4]C:501 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
7238 |
64.5 |
-9.0 |
0.729 |
2 |
0 |
0 |
0.034 |
38 |
|
[SO4]B:507 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
6911 |
63.4 |
-8.7 |
0.660 |
2 |
0 |
0 |
0.081 |
39 |
|
A |
9 |
4 |
7238 |
f |
[SO4]A:503 |
-y+1/2,x-1/2,z |
3_545 |
5 |
1 |
186 |
60.3 |
-8.3 |
0.574 |
1 |
0 |
0 |
0.032 |
40 |
|
C |
11 |
4 |
7317 |
◊ |
[SO4]A:501 |
-y+1/2,x-1/2,z |
3_545 |
4 |
1 |
185 |
57.1 |
-7.3 |
0.742 |
1 |
0 |
0 |
0.023 |
41 |
|
[SO4]A:506 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
7238 |
56.3 |
-6.6 |
0.874 |
2 |
0 |
0 |
0.025 |
42 |
|
[SO4]A:508 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
7238 |
56.2 |
-7.6 |
0.617 |
1 |
0 |
0 |
0.030 |
43 |
|
[SO4]B:503 |
4 |
1 |
185 |
◊ |
B |
-y,-x,-z+1 |
8_556 |
11 |
4 |
6911 |
55.8 |
-7.2 |
0.743 |
0 |
0 |
0 |
0.027 |
44 |
|
[SO4]B:506 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
6911 |
53.9 |
-7.4 |
0.728 |
1 |
0 |
0 |
0.066 |
45 |
|
[SO4]C:502 |
5 |
1 |
185 |
◊ |
A |
-y+1/2,x-1/2,z |
3_545 |
8 |
3 |
7238 |
49.7 |
-6.3 |
0.685 |
1 |
0 |
0 |
0.020 |
46 |
|
[SO4]B:504 |
3 |
1 |
185 |
◊ |
A |
-y,-x,-z+1 |
8_556 |
8 |
2 |
7238 |
44.3 |
-6.0 |
0.694 |
0 |
0 |
0 |
0.020 |
47 |
|
[SO4]C:508 |
4 |
1 |
185 |
◊ |
A |
-y+1/2,x-1/2,z |
3_545 |
3 |
1 |
7238 |
36.0 |
-4.0 |
0.769 |
0 |
0 |
0 |
0.012 |
48 |
|
A |
7 |
3 |
7238 |
◊ |
[SO4]A:504 |
-y+1/2,x-1/2,z |
3_545 |
3 |
1 |
185 |
35.9 |
-4.8 |
0.692 |
0 |
0 |
0 |
0.014 |
49 |
|
[SO4]A:503 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
7238 |
35.1 |
-3.8 |
0.857 |
2 |
0 |
0 |
0.014 |
50 |
|
[SO4]B:503 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
6911 |
31.9 |
-3.6 |
0.877 |
0 |
0 |
0 |
0.012 |
51 |
|
[SO4]A:510 |
3 |
1 |
184 |
f |
[SO4]A:505 |
x,y,z |
1_555 |
4 |
1 |
185 |
25.8 |
-5.9 |
0.995 |
0 |
0 |
0 |
0.022 |
52 |
|
C |
1 |
1 |
7317 |
◊ |
[SO4]A:507 |
-y+1/2,x-1/2,z |
3_545 |
4 |
1 |
184 |
24.7 |
-1.5 |
0.985 |
1 |
0 |
0 |
0.006 |
53 |
|
C |
2 |
1 |
7317 |
◊ |
[SO4]A:503 |
-y+1/2,x-1/2,z |
3_545 |
4 |
1 |
186 |
22.1 |
-2.5 |
0.525 |
0 |
0 |
0 |
0.009 |
54 |
|
[SO4]C:509 |
4 |
1 |
184 |
f |
[SO4]C:506 |
x,y,z |
1_555 |
2 |
1 |
184 |
22.1 |
-5.0 |
0.979 |
0 |
0 |
0 |
0.017 |
55 |
|
[SO4]C:503 |
3 |
1 |
184 |
◊ |
A |
-y+1/2,x-1/2,z |
3_545 |
4 |
2 |
7238 |
20.7 |
-2.1 |
0.888 |
0 |
0 |
0 |
0.006 |
56 |
|
[SO4]C:501 |
1 |
1 |
185 |
◊ |
[SO4]A:504 |
-y+1/2,x-1/2,z |
3_545 |
4 |
1 |
185 |
18.5 |
-4.1 |
0.894 |
0 |
0 |
0 |
0.012 |
57 |
|
[SO4]B:508 |
3 |
1 |
185 |
f |
[SO4]B:501 |
x,y,z |
1_555 |
4 |
1 |
185 |
16.6 |
-3.5 |
0.995 |
0 |
0 |
0 |
0.029 |
58 |
|
C |
3 |
3 |
7317 |
◊ |
C |
-y,-x,-z+1 |
8_556 |
3 |
3 |
7317 |
15.5 |
0.4 |
0.757 |
0 |
0 |
0 |
0.000 |
59 |
|
[SO4]C:507 |
3 |
1 |
185 |
◊ |
C |
-x+1,-y-1,z |
2_645 |
3 |
1 |
7317 |
15.3 |
-1.6 |
0.860 |
0 |
0 |
0 |
0.004 |
60 |
|
[SO4]A:511 |
3 |
1 |
185 |
◊ |
B |
-y,-x,-z |
8_555 |
2 |
2 |
6911 |
12.4 |
-1.2 |
0.876 |
0 |
0 |
0 |
0.004 |
61 |
|
[SO4]C:509 |
1 |
1 |
184 |
f |
[SO4]C:504 |
x,y,z |
1_555 |
3 |
1 |
186 |
11.3 |
-2.7 |
0.891 |
0 |
0 |
0 |
0.009 |
62 |
|
[SO4]A:504 |
3 |
1 |
185 |
◊ |
[SO4]A:503 |
x,y,z |
1_555 |
1 |
1 |
186 |
11.1 |
-2.5 |
0.891 |
0 |
0 |
0 |
0.008 |
63 |
|
C |
2 |
1 |
7317 |
◊ |
[SO4]A:504 |
-y+1/2,x-1/2,z |
3_545 |
2 |
1 |
185 |
10.9 |
-1.4 |
0.757 |
0 |
0 |
0 |
0.004 |
64 |
|
B |
1 |
1 |
6911 |
◊ |
C |
x-1/2,-y-1/2,-z+1 |
6_446 |
2 |
1 |
7317 |
10.1 |
-0.3 |
0.285 |
0 |
0 |
0 |
0.000 |
65 |
|
[SO4]C:503 |
4 |
1 |
184 |
◊ |
[SO4]A:505 |
-y+1/2,x-1/2,z |
3_545 |
1 |
1 |
185 |
9.6 |
-2.0 |
0.894 |
0 |
0 |
0 |
0.006 |
66 |
|
[SO4]C:506 |
4 |
1 |
184 |
f |
[SO4]C:504 |
x,y,z |
1_555 |
2 |
1 |
186 |
9.1 |
-2.0 |
0.979 |
0 |
0 |
0 |
0.007 |
67 |
|
[SO4]C:508 |
1 |
1 |
185 |
◊ |
[SO4]A:501 |
-y+1/2,x-1/2,z |
3_545 |
1 |
1 |
185 |
7.1 |
-1.7 |
0.800 |
0 |
0 |
0 |
0.005 |
68 |
|
B |
1 |
1 |
6911 |
◊ |
[SO4]C:503 |
x-1/2,-y-1/2,-z+1 |
6_446 |
1 |
1 |
184 |
3.4 |
-0.5 |
0.632 |
0 |
0 |
0 |
0.000 |
69 |
|
[SO4]C:501 |
1 |
1 |
185 |
◊ |
A |
-y+1/2,x-1/2,z |
3_545 |
1 |
1 |
7238 |
2.9 |
-0.3 |
0.867 |
0 |
0 |
0 |
0.000 |
70 |
|
[SO4]A:507 |
1 |
1 |
184 |
f |
[SO4]A:502 |
x,y,z |
1_555 |
1 |
1 |
184 |
2.1 |
-0.5 |
1.000 |
0 |
0 |
0 |
0.002 |
71 |
|
C |
1 |
1 |
7317 |
◊ |
[SO4]A:505 |
-y+1/2,x-1/2,z |
3_545 |
1 |
1 |
185 |
1.0 |
-0.1 |
0.830 |
0 |
0 |
0 |
0.000 |
72 |
|
[SO4]B:507 |
1 |
1 |
185 |
◊ |
A |
-y,-x,-z+1 |
8_556 |
1 |
1 |
7238 |
0.5 |
-0.1 |
0.753 |
0 |
0 |
0 |
0.000 |
|