## |
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 |
272 |
72 |
22137 |
◊ |
A |
x,y,z |
1_555 |
280 |
78 |
30757 |
2528.4 |
-26.8 |
0.103 |
22 |
1 |
0 |
0.241 |
2 |
|
A |
85 |
27 |
30757 |
◊ |
B |
x,y-1,z |
1_545 |
66 |
23 |
22137 |
677.5 |
-10.4 |
0.102 |
3 |
2 |
0 |
0.090 |
3 |
|
A |
66 |
14 |
30757 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
65 |
14 |
30757 |
646.4 |
-2.3 |
0.628 |
8 |
4 |
0 |
0.000 |
4 |
|
[K5A]A:601 |
37 |
1 |
787 |
f |
A |
x,y,z |
1_555 |
84 |
20 |
30757 |
546.0 |
-11.5 |
0.386 |
3 |
0 |
0 |
0.096 |
5 |
|
A |
50 |
10 |
30757 |
◊ |
A |
-x,y,-z |
2_555 |
49 |
10 |
30757 |
449.0 |
-2.6 |
0.538 |
4 |
0 |
0 |
0.000 |
6 |
|
A |
45 |
11 |
30757 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
47 |
20 |
22137 |
434.0 |
-1.7 |
0.582 |
8 |
0 |
0 |
0.000 |
7 |
|
A |
35 |
13 |
30757 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
30 |
9 |
22137 |
301.3 |
4.9 |
0.929 |
5 |
4 |
0 |
0.000 |
8 |
|
A |
25 |
12 |
30757 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
28 |
9 |
30757 |
248.3 |
1.3 |
0.690 |
4 |
2 |
0 |
0.000 |
9 |
|
B |
20 |
8 |
22137 |
x |
B |
-x+1/2,y-1/2,-z |
4_545 |
27 |
7 |
22137 |
211.5 |
1.0 |
0.781 |
2 |
1 |
0 |
0.000 |
10 |
|
[EDO]B:512 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
27 |
9 |
22137 |
132.1 |
3.1 |
0.430 |
0 |
0 |
0 |
0.000 |
11 |
|
[DMS]A:603 |
4 |
1 |
209 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
30757 |
124.0 |
4.1 |
0.662 |
1 |
0 |
0 |
0.000 |
12 |
|
[SO4]A:605 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
30757 |
117.6 |
-17.2 |
0.723 |
4 |
0 |
0 |
0.142 |
13 |
|
[EDO]B:508 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
19 |
10 |
22137 |
117.1 |
4.0 |
0.693 |
5 |
0 |
0 |
0.000 |
14 |
|
[EDO]B:510 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
23 |
7 |
22137 |
114.8 |
3.3 |
0.468 |
2 |
0 |
0 |
0.000 |
15 |
|
[EDO]B:519 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
20 |
10 |
22137 |
114.6 |
3.8 |
0.698 |
3 |
0 |
0 |
0.000 |
16 |
|
[EDO]A:619 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
23 |
7 |
30757 |
114.6 |
3.8 |
0.544 |
0 |
0 |
0 |
0.000 |
17 |
|
[EDO]A:614 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
24 |
10 |
30757 |
113.9 |
4.1 |
0.697 |
5 |
0 |
0 |
0.000 |
18 |
|
[EDO]B:515 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
22137 |
113.7 |
3.5 |
0.481 |
4 |
0 |
0 |
0.000 |
19 |
|
[SO4]A:608 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
30757 |
113.7 |
-16.5 |
0.735 |
1 |
0 |
0 |
0.126 |
20 |
|
[EDO]B:507 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
20 |
8 |
22137 |
112.4 |
3.1 |
0.616 |
3 |
0 |
0 |
0.000 |
21 |
|
[EDO]A:624 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
19 |
10 |
30757 |
107.0 |
3.6 |
0.521 |
3 |
0 |
0 |
0.000 |
22 |
|
[SO4]A:606 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
30757 |
105.8 |
-13.3 |
0.820 |
3 |
0 |
0 |
0.109 |
23 |
|
[DMS]B:501 |
4 |
1 |
209 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
22137 |
105.2 |
1.8 |
0.493 |
2 |
0 |
0 |
0.000 |
24 |
|
[EDO]A:615 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
30757 |
103.1 |
3.2 |
0.497 |
4 |
0 |
0 |
0.000 |
25 |
|
[EDO]A:613 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
9 |
30757 |
102.9 |
3.7 |
0.537 |
3 |
0 |
0 |
0.000 |
26 |
|
[EDO]B:514 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
14 |
7 |
22137 |
100.0 |
3.5 |
0.496 |
1 |
0 |
0 |
0.000 |
27 |
|
[EDO]B:511 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
22137 |
99.4 |
3.3 |
0.526 |
1 |
0 |
0 |
0.000 |
28 |
|
[EDO]A:623 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
20 |
6 |
30757 |
97.0 |
2.4 |
0.286 |
2 |
0 |
0 |
0.000 |
29 |
|
[SO4]B:506 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
22137 |
94.5 |
-13.8 |
0.812 |
2 |
0 |
0 |
0.110 |
30 |
|
[EDO]A:610 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
30757 |
92.8 |
2.3 |
0.349 |
0 |
0 |
0 |
0.000 |
31 |
|
[EDO]A:620 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
30757 |
91.2 |
3.3 |
0.549 |
4 |
0 |
0 |
0.000 |
32 |
|
[EDO]B:517 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
22137 |
90.8 |
2.1 |
0.379 |
2 |
0 |
0 |
0.000 |
33 |
|
[SO4]A:607 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
30757 |
90.4 |
-12.5 |
0.844 |
5 |
0 |
0 |
0.110 |
34 |
|
[EDO]A:612 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
30757 |
90.2 |
1.9 |
0.257 |
2 |
0 |
0 |
0.000 |
35 |
|
[EDO]A:622 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
30757 |
87.6 |
3.2 |
0.550 |
1 |
0 |
0 |
0.000 |
36 |
|
[EDO]A:616 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
22137 |
86.9 |
2.7 |
0.466 |
0 |
0 |
0 |
0.000 |
37 |
|
[SO4]B:504 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
22137 |
86.8 |
-11.4 |
0.713 |
2 |
0 |
0 |
0.092 |
38 |
|
[EDO]A:618 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
30757 |
85.6 |
2.8 |
0.429 |
0 |
0 |
0 |
0.000 |
39 |
|
[EDO]A:621 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
30757 |
85.6 |
1.7 |
0.260 |
2 |
0 |
0 |
0.000 |
40 |
|
[EDO]A:617 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
30757 |
85.5 |
2.8 |
0.490 |
3 |
0 |
0 |
0.000 |
41 |
|
[SO4]B:505 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
22137 |
85.1 |
-13.0 |
0.577 |
3 |
0 |
0 |
0.107 |
42 |
|
[EDO]B:520 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
22137 |
83.4 |
1.6 |
0.264 |
1 |
0 |
0 |
0.000 |
43 |
|
[EDO]B:509 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
22137 |
82.5 |
2.4 |
0.294 |
2 |
0 |
0 |
0.000 |
44 |
|
[SO4]B:503 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
22137 |
80.8 |
-10.5 |
0.852 |
2 |
0 |
0 |
0.085 |
45 |
|
[EDO]B:518 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
22137 |
80.2 |
2.3 |
0.295 |
4 |
0 |
0 |
0.000 |
46 |
|
[SO4]B:502 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
22137 |
78.9 |
-9.3 |
0.909 |
3 |
0 |
0 |
0.079 |
47 |
|
[EDO]B:513 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
22137 |
73.5 |
1.8 |
0.277 |
2 |
0 |
0 |
0.000 |
48 |
|
[EDO]A:611 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
30757 |
72.9 |
2.0 |
0.861 |
2 |
0 |
0 |
0.000 |
49 |
|
[EDO]B:516 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
22137 |
70.9 |
1.5 |
0.694 |
2 |
0 |
0 |
0.000 |
50 |
|
[EDO]B:513 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
30757 |
67.1 |
2.3 |
0.441 |
0 |
0 |
0 |
0.000 |
51 |
|
[SO4]A:604 |
4 |
1 |
185 |
f |
B |
x,y-1,z |
1_545 |
9 |
6 |
22137 |
65.2 |
-9.2 |
0.699 |
3 |
0 |
0 |
0.079 |
52 |
|
B |
6 |
2 |
22137 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
6 |
2 |
22137 |
63.4 |
-0.6 |
0.451 |
0 |
0 |
0 |
0.000 |
53 |
|
[EDO]A:622 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
22137 |
63.3 |
1.6 |
0.797 |
0 |
0 |
0 |
0.000 |
54 |
|
[SO4]B:503 |
5 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
30757 |
59.8 |
-6.9 |
0.873 |
0 |
0 |
0 |
0.045 |
55 |
|
[EDO]A:609 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
22137 |
59.1 |
2.0 |
0.257 |
0 |
0 |
0 |
0.000 |
56 |
|
[SO4]B:502 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
30757 |
58.8 |
-7.7 |
0.721 |
1 |
0 |
0 |
0.054 |
57 |
|
[K5A]A:601 |
6 |
1 |
787 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
22137 |
56.6 |
-1.5 |
0.519 |
0 |
0 |
0 |
0.010 |
58 |
|
[MG]A:602 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
30757 |
56.2 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.063 |
59 |
|
[EDO]A:609 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
30757 |
54.0 |
1.7 |
0.956 |
3 |
0 |
0 |
0.000 |
60 |
|
B |
6 |
2 |
22137 |
◊ |
[EDO]B:518 |
-x+1/2,y-1/2,-z |
4_545 |
4 |
1 |
185 |
50.9 |
0.9 |
0.606 |
0 |
0 |
0 |
0.000 |
61 |
|
[EDO]B:520 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
30757 |
49.6 |
1.0 |
0.213 |
1 |
0 |
0 |
0.000 |
62 |
|
[DMS]B:501 |
3 |
1 |
209 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
30757 |
43.7 |
1.2 |
0.263 |
0 |
0 |
0 |
0.000 |
63 |
|
[SO4]B:504 |
5 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
30757 |
41.7 |
-4.8 |
0.808 |
0 |
0 |
0 |
0.032 |
64 |
|
[SO4]A:604 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
30757 |
40.4 |
-4.8 |
0.761 |
0 |
0 |
0 |
0.036 |
65 |
|
A |
7 |
1 |
30757 |
◊ |
[SO4]B:504 |
-x+1/2,y-1/2,-z+1 |
4_546 |
5 |
1 |
184 |
38.5 |
-4.7 |
0.768 |
0 |
0 |
0 |
0.000 |
66 |
|
[EDO]A:616 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
30757 |
37.5 |
0.5 |
0.366 |
0 |
0 |
0 |
0.000 |
67 |
|
[EDO]A:624 |
3 |
1 |
184 |
f |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
3 |
22137 |
36.5 |
1.7 |
0.961 |
0 |
0 |
0 |
0.000 |
68 |
|
A |
2 |
1 |
30757 |
◊ |
[EDO]B:518 |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
185 |
34.3 |
0.6 |
0.324 |
0 |
0 |
0 |
0.000 |
69 |
|
[EDO]B:514 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
30757 |
33.9 |
0.8 |
0.837 |
0 |
0 |
0 |
0.000 |
70 |
|
[K5A]A:601 |
2 |
1 |
787 |
◊ |
B |
x,y-1,z |
1_545 |
3 |
1 |
22137 |
32.4 |
-0.3 |
0.386 |
0 |
0 |
0 |
0.003 |
71 |
|
[EDO]B:520 |
2 |
1 |
184 |
◊ |
[DMS]B:501 |
x,y,z |
1_555 |
4 |
1 |
209 |
31.9 |
2.0 |
0.351 |
0 |
0 |
0 |
0.000 |
72 |
|
[EDO]A:617 |
2 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
2 |
2 |
22137 |
26.1 |
1.2 |
0.979 |
1 |
0 |
0 |
0.000 |
73 |
|
[EDO]A:623 |
3 |
1 |
185 |
f |
[EDO]A:617 |
x,y,z |
1_555 |
3 |
1 |
186 |
24.7 |
1.4 |
1.000 |
0 |
0 |
0 |
0.000 |
74 |
|
[EDO]A:617 |
2 |
1 |
186 |
f |
[SO4]B:503 |
x,y,z |
1_555 |
1 |
1 |
184 |
21.4 |
-2.4 |
0.894 |
1 |
0 |
0 |
0.021 |
75 |
|
[EDO]B:507 |
2 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
30757 |
19.2 |
0.2 |
0.447 |
0 |
0 |
0 |
0.000 |
76 |
|
[SO4]B:505 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
30757 |
18.9 |
-1.7 |
0.945 |
0 |
0 |
0 |
0.011 |
77 |
|
A |
2 |
1 |
30757 |
x |
A |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
30757 |
17.2 |
-0.2 |
0.431 |
0 |
0 |
0 |
0.000 |
78 |
|
[EDO]B:520 |
1 |
1 |
184 |
f |
[EDO]B:510 |
x,y,z |
1_555 |
2 |
1 |
184 |
16.5 |
0.4 |
1.000 |
1 |
0 |
0 |
0.000 |
79 |
|
[EDO]A:619 |
2 |
1 |
185 |
f |
[SO4]A:606 |
x,y,z |
1_555 |
2 |
1 |
185 |
9.2 |
-1.0 |
0.980 |
0 |
0 |
0 |
0.007 |
80 |
|
A |
2 |
1 |
30757 |
f |
[EDO]A:612 |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
1 |
183 |
9.1 |
0.3 |
0.897 |
0 |
0 |
0 |
0.000 |
81 |
|
A |
2 |
1 |
30757 |
◊ |
[EDO]B:507 |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
1 |
185 |
7.1 |
0.3 |
0.864 |
0 |
0 |
0 |
0.000 |
82 |
|
[EDO]B:517 |
1 |
1 |
184 |
f |
[EDO]B:509 |
x,y,z |
1_555 |
1 |
1 |
185 |
1.8 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
83 |
|
[EDO]A:615 |
1 |
1 |
184 |
f |
[EDO]A:611 |
x,y,z |
1_555 |
1 |
1 |
184 |
1.7 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
|