## |
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 |
|
A |
153 |
39 |
10888 |
◊ |
B |
x,y,z |
1_555 |
171 |
47 |
10387 |
1506.8 |
-19.6 |
0.085 |
6 |
3 |
0 |
0.131 |
2 |
|
E |
154 |
39 |
10420 |
◊ |
D |
x,y,z |
1_555 |
148 |
42 |
10176 |
1474.7 |
-22.1 |
0.033 |
11 |
0 |
0 |
0.157 |
3 |
|
B |
93 |
27 |
10387 |
◊ |
D |
x-1/2,-y-1/2,-z+1/2 |
6_445 |
103 |
27 |
10176 |
927.8 |
-1.2 |
0.772 |
6 |
3 |
0 |
0.027 |
4 |
|
A |
88 |
22 |
10888 |
◊ |
A |
y,x,-z |
7_555 |
89 |
22 |
10888 |
852.1 |
-11.7 |
0.137 |
4 |
0 |
0 |
0.078 |
5 |
|
A |
69 |
15 |
10888 |
◊ |
E |
y,x,-z |
7_555 |
66 |
17 |
10420 |
581.4 |
-0.1 |
0.739 |
4 |
1 |
0 |
0.010 |
6 |
|
[CVI]A:200 |
28 |
1 |
664 |
◊ |
A |
x,y,z |
1_555 |
69 |
19 |
10888 |
454.1 |
3.2 |
0.422 |
0 |
0 |
0 |
0.000 |
7 |
|
A |
40 |
10 |
10888 |
◊ |
E |
x,y,z |
1_555 |
46 |
13 |
10420 |
388.5 |
-3.5 |
0.391 |
4 |
1 |
0 |
0.028 |
8 |
|
D |
31 |
10 |
10176 |
◊ |
D |
y,x,-z+1 |
7_556 |
28 |
10 |
10176 |
338.2 |
-0.6 |
0.646 |
0 |
0 |
0 |
0.005 |
9 |
|
B |
31 |
9 |
10387 |
◊ |
B |
-y-1,-x-1,-z |
8_445 |
31 |
9 |
10387 |
260.5 |
-2.2 |
0.481 |
0 |
0 |
0 |
0.013 |
10 |
|
B |
19 |
4 |
10387 |
◊ |
B |
y,x,-z |
7_555 |
18 |
4 |
10387 |
175.2 |
0.1 |
0.695 |
2 |
0 |
0 |
0.004 |
11 |
|
E |
22 |
6 |
10420 |
◊ |
E |
y,x,-z+1 |
7_556 |
22 |
6 |
10420 |
175.1 |
-3.0 |
0.278 |
0 |
0 |
0 |
0.015 |
12 |
|
D |
25 |
8 |
10176 |
◊ |
B |
-y-1/2,x+1/2,z+1/2 |
3_455 |
23 |
9 |
10387 |
160.9 |
-2.6 |
0.365 |
0 |
0 |
0 |
0.014 |
13 |
|
[CVI]A:200 |
11 |
1 |
664 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
10387 |
113.8 |
-0.1 |
0.194 |
0 |
0 |
0 |
0.002 |
14 |
|
[SO4]E:399 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
19 |
8 |
10420 |
110.1 |
-18.3 |
0.603 |
1 |
0 |
0 |
0.193 |
15 |
|
[SO4]D:901 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
22 |
8 |
10176 |
108.6 |
-17.8 |
0.616 |
1 |
0 |
0 |
0.278 |
16 |
|
[SO4]A:800 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
10888 |
89.1 |
-12.6 |
0.803 |
3 |
0 |
0 |
0.162 |
17 |
|
[SO4]E:249 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
17 |
6 |
10420 |
87.9 |
-12.8 |
0.742 |
3 |
0 |
0 |
0.145 |
18 |
|
[SO4]B:700 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
10387 |
87.4 |
-12.8 |
0.611 |
5 |
0 |
0 |
0.182 |
19 |
|
A |
15 |
5 |
10888 |
◊ |
B |
y,x,-z |
7_555 |
9 |
2 |
10387 |
87.1 |
-0.2 |
0.632 |
2 |
0 |
0 |
0.006 |
20 |
|
[SO4]A:802 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
10888 |
85.4 |
-13.7 |
0.562 |
4 |
0 |
0 |
0.179 |
21 |
|
[SO4]B:999 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
10387 |
81.8 |
-11.6 |
0.794 |
6 |
0 |
0 |
0.173 |
22 |
|
[SO4]B:199 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
10387 |
80.9 |
-10.9 |
0.861 |
2 |
0 |
0 |
0.143 |
23 |
|
[SO4]A:699 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
10888 |
78.4 |
-12.1 |
0.622 |
3 |
0 |
0 |
0.156 |
24 |
|
[SO4]E:900 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
11 |
5 |
10420 |
78.1 |
-11.5 |
0.651 |
1 |
0 |
0 |
0.123 |
25 |
|
[SO4]A:599 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
10888 |
77.9 |
-11.2 |
0.801 |
2 |
0 |
0 |
0.140 |
26 |
|
[SO4]D:900 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
15 |
5 |
10176 |
77.8 |
-11.5 |
0.628 |
3 |
0 |
0 |
0.195 |
27 |
|
[SO4]B:499 |
5 |
1 |
185 |
◊ |
D |
x-1/2,-y-1/2,-z+1/2 |
6_445 |
9 |
6 |
10176 |
77.6 |
-9.6 |
0.955 |
2 |
0 |
0 |
0.066 |
28 |
|
[SO4]E:649 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
10 |
3 |
10420 |
74.4 |
-11.1 |
0.694 |
2 |
0 |
0 |
0.123 |
29 |
|
[SO4]E:901 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
10 |
3 |
10420 |
73.1 |
-9.9 |
0.825 |
2 |
0 |
0 |
0.111 |
30 |
|
[SO4]D:899 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
10176 |
72.9 |
-9.9 |
0.754 |
1 |
0 |
0 |
0.158 |
31 |
|
[SO4]A:801 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
10888 |
72.6 |
-9.8 |
0.691 |
2 |
0 |
0 |
0.124 |
32 |
|
[SO4]A:299 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
10888 |
71.7 |
-8.9 |
0.886 |
4 |
0 |
0 |
0.124 |
33 |
|
[SO4]B:600 |
5 |
1 |
186 |
f |
B |
-y-1,-x-1,-z |
8_445 |
11 |
3 |
10387 |
67.6 |
-9.5 |
0.666 |
0 |
0 |
0 |
0.115 |
34 |
|
[SO4]A:799 |
5 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
10888 |
67.3 |
-10.0 |
0.577 |
0 |
0 |
0 |
0.053 |
35 |
|
[SO4]A:799 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
9 |
3 |
10420 |
67.2 |
-9.9 |
0.713 |
2 |
0 |
0 |
0.111 |
36 |
|
[SO4]D:902 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
9 |
3 |
10176 |
67.0 |
-7.9 |
0.919 |
2 |
0 |
0 |
0.134 |
37 |
|
[SO4]B:219 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
10387 |
66.6 |
-7.9 |
0.914 |
1 |
0 |
0 |
0.101 |
38 |
|
[SO4]E:239 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
10 |
3 |
10420 |
65.4 |
-8.7 |
0.769 |
0 |
0 |
0 |
0.089 |
39 |
|
[SO4]D:779 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
10176 |
62.4 |
-7.9 |
0.820 |
0 |
0 |
0 |
0.120 |
40 |
|
[SO4]B:199 |
5 |
1 |
186 |
◊ |
D |
x-1/2,-y-1/2,-z+1/2 |
6_445 |
11 |
5 |
10176 |
59.7 |
-7.6 |
0.899 |
2 |
0 |
0 |
0.053 |
41 |
|
[SO4]B:600 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
10387 |
56.4 |
-7.7 |
0.594 |
1 |
0 |
0 |
0.098 |
42 |
|
[SO4]D:779 |
5 |
1 |
187 |
◊ |
D |
y,x,-z+1 |
7_556 |
6 |
2 |
10176 |
55.1 |
-7.3 |
0.636 |
0 |
0 |
0 |
0.111 |
43 |
|
[SO4]D:900 |
4 |
1 |
185 |
◊ |
B |
-y-1/2,x+1/2,z+1/2 |
3_455 |
3 |
1 |
10387 |
44.0 |
-4.7 |
0.919 |
0 |
0 |
0 |
0.025 |
44 |
|
B |
4 |
3 |
10387 |
◊ |
B |
-x-1,-y-1,z |
2_445 |
4 |
3 |
10387 |
39.1 |
0.3 |
0.738 |
1 |
0 |
0 |
0.000 |
45 |
|
[SO4]B:499 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
10387 |
39.0 |
-3.1 |
0.976 |
2 |
0 |
0 |
0.048 |
46 |
|
B |
3 |
1 |
10387 |
◊ |
E |
x-1/2,-y-1/2,-z+1/2 |
6_445 |
4 |
1 |
10420 |
35.2 |
-0.5 |
0.360 |
0 |
0 |
0 |
0.001 |
47 |
|
[SO4]B:999 |
3 |
1 |
187 |
f |
[SO4]B:700 |
x,y,z |
1_555 |
3 |
1 |
186 |
31.6 |
-7.4 |
0.992 |
0 |
0 |
0 |
0.089 |
48 |
|
[SO4]A:699 |
3 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
10420 |
31.1 |
-3.5 |
0.903 |
0 |
0 |
0 |
0.018 |
49 |
|
[SO4]E:249 |
4 |
1 |
186 |
◊ |
E |
y,x,-z+1 |
7_556 |
2 |
1 |
10420 |
29.1 |
-3.1 |
0.948 |
1 |
0 |
0 |
0.036 |
50 |
|
[SO4]B:700 |
3 |
1 |
186 |
◊ |
[SO4]B:700 |
y,x,-z |
7_555 |
3 |
1 |
186 |
27.6 |
-6.6 |
0.992 |
0 |
0 |
0 |
0.037 |
51 |
|
[SO4]A:299 |
4 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
10420 |
22.9 |
-2.1 |
0.919 |
1 |
0 |
0 |
0.013 |
52 |
|
[SO4]E:900 |
3 |
1 |
186 |
◊ |
[SO4]E:249 |
y,x,-z+1 |
7_556 |
2 |
1 |
186 |
20.2 |
-4.6 |
0.976 |
0 |
0 |
0 |
0.048 |
53 |
|
[SO4]B:499 |
4 |
1 |
185 |
◊ |
[SO4]D:901 |
x-1/2,-y-1/2,-z+1/2 |
6_445 |
1 |
1 |
186 |
15.9 |
-3.6 |
0.894 |
0 |
0 |
0 |
0.022 |
54 |
|
[SO4]A:802 |
3 |
1 |
186 |
f |
[SO4]A:299 |
x,y,z |
1_555 |
1 |
1 |
186 |
13.8 |
-3.2 |
0.891 |
0 |
0 |
0 |
0.037 |
55 |
|
[SO4]B:499 |
1 |
1 |
185 |
f |
[SO4]B:199 |
x,y,z |
1_555 |
3 |
1 |
186 |
13.6 |
-3.1 |
0.891 |
0 |
0 |
0 |
0.037 |
56 |
|
[SO4]B:600 |
3 |
1 |
186 |
◊ |
B |
-x-1,-y-1,z |
2_445 |
2 |
1 |
10387 |
11.3 |
-0.8 |
0.944 |
0 |
0 |
0 |
0.009 |
57 |
|
[SO4]E:399 |
1 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
10888 |
9.8 |
-1.3 |
0.660 |
0 |
0 |
0 |
0.007 |
58 |
|
[SO4]B:700 |
1 |
1 |
186 |
◊ |
B |
y,x,-z |
7_555 |
1 |
1 |
10387 |
8.6 |
-1.2 |
0.450 |
0 |
0 |
0 |
0.013 |
59 |
|
D |
3 |
1 |
10176 |
◊ |
[SO4]B:219 |
-y-1/2,x+1/2,z+1/2 |
3_455 |
1 |
1 |
186 |
5.9 |
-0.7 |
0.703 |
0 |
0 |
0 |
0.004 |
60 |
|
B |
1 |
1 |
10387 |
◊ |
[SO4]D:779 |
x-1/2,-y-1/2,-z+1/2 |
6_445 |
3 |
1 |
187 |
5.7 |
-0.6 |
0.560 |
0 |
0 |
0 |
0.004 |
61 |
|
A |
2 |
1 |
10888 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
10176 |
5.5 |
0.1 |
0.765 |
0 |
0 |
0 |
0.000 |
62 |
|
[SO4]E:900 |
1 |
1 |
186 |
◊ |
E |
y,x,-z+1 |
7_556 |
1 |
1 |
10420 |
4.3 |
-0.6 |
0.624 |
0 |
0 |
0 |
0.006 |
63 |
|
[SO4]A:802 |
1 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
10420 |
2.7 |
-0.3 |
0.889 |
0 |
0 |
0 |
0.001 |
|