## |
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 |
147 |
37 |
13883 |
◊ |
A |
-x,y,-z |
2_555 |
143 |
35 |
14030 |
1324.5 |
-7.8 |
0.430 |
22 |
5 |
0 |
0.171 |
2 |
|
[LU8]A:501 |
31 |
1 |
703 |
f |
A |
x,y,z |
1_555 |
59 |
23 |
14030 |
445.0 |
-6.3 |
0.495 |
1 |
0 |
0 |
0.063 |
3 |
|
[LU8]B:501 |
30 |
1 |
704 |
f |
B |
x,y,z |
1_555 |
56 |
24 |
13883 |
423.4 |
-8.4 |
0.338 |
1 |
0 |
0 |
0.083 |
4 |
|
B |
43 |
12 |
13883 |
◊ |
A |
x,y,z |
1_555 |
43 |
11 |
14030 |
360.1 |
-0.5 |
0.618 |
0 |
0 |
0 |
0.000 |
5 |
|
[LU8]A:507 |
27 |
1 |
708 |
f |
A |
x,y,z |
1_555 |
43 |
13 |
14030 |
274.2 |
-4.6 |
0.501 |
2 |
0 |
0 |
0.051 |
6 |
|
B |
27 |
6 |
13883 |
x |
B |
-x-1/2,y-1/2,-z-1 |
4_444 |
30 |
7 |
13883 |
247.7 |
-2.2 |
0.388 |
0 |
0 |
0 |
0.000 |
7 |
|
A |
30 |
9 |
14030 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
32 |
10 |
13883 |
231.0 |
-0.7 |
0.601 |
0 |
0 |
0 |
0.000 |
8 |
|
A |
26 |
6 |
14030 |
◊ |
[LU8]A:508 |
-x-1/2,y-1/2,-z |
4_445 |
19 |
1 |
702 |
203.2 |
-3.0 |
0.478 |
0 |
0 |
0 |
0.000 |
9 |
|
[LU8]A:507 |
22 |
1 |
708 |
◊ |
B |
-x,y,-z |
2_555 |
27 |
9 |
13883 |
193.8 |
-3.7 |
0.410 |
0 |
0 |
0 |
0.034 |
10 |
|
B |
21 |
6 |
13883 |
◊ |
B |
-x-1,y,-z-1 |
2_454 |
21 |
6 |
13883 |
175.2 |
0.9 |
0.770 |
2 |
0 |
0 |
0.000 |
11 |
|
[LU8]A:508 |
17 |
1 |
702 |
◊ |
B |
-x,y,-z |
2_555 |
21 |
5 |
13883 |
149.2 |
-2.6 |
0.528 |
0 |
0 |
0 |
0.024 |
12 |
|
[XHJ]B:508 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
26 |
10 |
13883 |
148.0 |
-0.8 |
0.474 |
1 |
0 |
0 |
0.012 |
13 |
|
A |
15 |
5 |
14030 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
13 |
4 |
13883 |
141.9 |
1.5 |
0.862 |
5 |
0 |
0 |
0.000 |
14 |
|
A |
18 |
6 |
14030 |
x |
A |
-x-1/2,y-1/2,-z |
4_445 |
18 |
7 |
14030 |
138.9 |
0.9 |
0.772 |
5 |
2 |
0 |
0.000 |
15 |
|
B |
13 |
3 |
13883 |
◊ |
A |
x-1/2,y+1/2,z-1 |
3_454 |
15 |
5 |
14030 |
138.2 |
-1.3 |
0.389 |
0 |
0 |
0 |
0.000 |
16 |
|
[LU8]A:508 |
22 |
1 |
702 |
f |
[LU8]A:507 |
x,y,z |
1_555 |
21 |
1 |
708 |
137.9 |
-1.0 |
0.835 |
0 |
0 |
0 |
0.010 |
17 |
|
[XHJ]B:507 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
17 |
10 |
13883 |
134.5 |
-1.0 |
0.471 |
2 |
0 |
0 |
0.017 |
18 |
|
[XHJ]B:505 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
13883 |
127.9 |
1.2 |
0.769 |
2 |
0 |
0 |
0.000 |
19 |
|
[XHJ]A:509 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
14030 |
123.5 |
0.1 |
0.630 |
1 |
0 |
0 |
0.003 |
20 |
|
[EDO]B:503 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
22 |
9 |
13883 |
117.8 |
4.3 |
0.723 |
3 |
0 |
0 |
0.000 |
21 |
|
[EDO]A:503 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
14030 |
114.9 |
4.1 |
0.525 |
2 |
0 |
0 |
0.000 |
22 |
|
[LU8]A:508 |
13 |
1 |
702 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
14030 |
109.6 |
-3.4 |
0.263 |
0 |
0 |
0 |
0.032 |
23 |
|
[EDO]B:510 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
13883 |
105.3 |
3.8 |
0.493 |
3 |
0 |
0 |
0.000 |
24 |
|
[EDO]A:502 |
4 |
1 |
179 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
14030 |
103.0 |
3.7 |
0.521 |
7 |
0 |
0 |
0.000 |
25 |
|
[SO4]B:502 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
13883 |
99.7 |
-13.8 |
0.837 |
3 |
0 |
0 |
0.141 |
26 |
|
[SO4]A:512 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
14030 |
98.2 |
-14.2 |
0.839 |
3 |
0 |
0 |
0.145 |
27 |
|
[EDO]A:513 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
14030 |
97.4 |
3.5 |
0.471 |
3 |
0 |
0 |
0.000 |
28 |
|
[SO4]A:511 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
14030 |
93.4 |
-12.1 |
0.926 |
3 |
0 |
0 |
0.126 |
29 |
|
[EDO]A:505 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
14030 |
91.8 |
3.1 |
0.516 |
6 |
0 |
0 |
0.000 |
30 |
|
[SO4]B:509 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
13883 |
88.8 |
-12.9 |
0.669 |
1 |
0 |
0 |
0.124 |
31 |
|
[EDO]A:514 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
14030 |
82.1 |
2.1 |
0.473 |
1 |
0 |
0 |
0.000 |
32 |
|
[EDO]A:516 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
14030 |
81.8 |
2.9 |
0.320 |
2 |
0 |
0 |
0.000 |
33 |
|
[EDO]B:511 |
4 |
1 |
180 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
13883 |
78.6 |
1.5 |
0.222 |
1 |
0 |
0 |
0.000 |
34 |
|
[XHJ]B:506 |
6 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
11 |
6 |
13883 |
72.9 |
0.2 |
0.647 |
1 |
0 |
0 |
0.000 |
35 |
|
[SO4]A:510 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
14030 |
68.4 |
-9.5 |
0.815 |
2 |
0 |
0 |
0.097 |
36 |
|
[DMS]B:504 |
3 |
1 |
208 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
13883 |
67.2 |
3.3 |
0.619 |
1 |
0 |
0 |
0.000 |
37 |
|
B |
10 |
2 |
13883 |
f |
[XHJ]B:506 |
-x-1/2,y-1/2,-z-1 |
4_444 |
6 |
1 |
219 |
65.1 |
0.1 |
0.611 |
2 |
0 |
0 |
0.007 |
38 |
|
[EDO]A:515 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
14030 |
63.4 |
0.7 |
0.557 |
3 |
0 |
0 |
0.005 |
39 |
|
[XHJ]B:506 |
6 |
1 |
219 |
◊ |
[LU8]B:501 |
x,y,z |
1_555 |
8 |
1 |
704 |
62.1 |
0.2 |
0.721 |
0 |
0 |
0 |
0.000 |
40 |
|
[EDO]A:504 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
14030 |
60.6 |
1.5 |
0.826 |
1 |
0 |
0 |
0.000 |
41 |
|
[DMS]A:506 |
4 |
1 |
207 |
◊ |
B |
-x,y,-z |
2_555 |
6 |
2 |
13883 |
51.0 |
0.8 |
0.363 |
2 |
0 |
0 |
0.001 |
42 |
|
[SO4]A:510 |
4 |
1 |
183 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
7 |
3 |
13883 |
49.3 |
-6.0 |
0.793 |
1 |
0 |
0 |
0.000 |
43 |
|
[EDO]A:505 |
4 |
1 |
186 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
8 |
2 |
13883 |
48.2 |
1.1 |
0.790 |
1 |
0 |
0 |
0.000 |
44 |
|
[EDO]A:514 |
4 |
1 |
185 |
◊ |
[LU8]A:508 |
-x-1/2,y-1/2,-z |
4_445 |
7 |
1 |
702 |
47.0 |
1.5 |
0.905 |
0 |
0 |
0 |
0.000 |
45 |
|
B |
8 |
2 |
13883 |
◊ |
[LU8]B:501 |
-x-1/2,y-1/2,-z-1 |
4_444 |
5 |
1 |
704 |
46.4 |
0.6 |
0.596 |
0 |
0 |
0 |
0.000 |
46 |
|
[DMS]B:504 |
3 |
1 |
208 |
f |
A |
x-1/2,y-1/2,z-1 |
3_444 |
4 |
1 |
14030 |
37.5 |
1.1 |
0.336 |
0 |
0 |
0 |
0.000 |
47 |
|
[EDO]A:514 |
2 |
1 |
185 |
◊ |
[LU8]A:507 |
-x-1/2,y-1/2,-z |
4_445 |
4 |
1 |
708 |
33.2 |
0.6 |
0.586 |
0 |
0 |
0 |
0.000 |
48 |
|
[EDO]B:511 |
2 |
1 |
180 |
f |
A |
x-1/2,y+1/2,z-1 |
3_454 |
3 |
1 |
14030 |
28.5 |
0.6 |
0.565 |
0 |
0 |
0 |
0.000 |
49 |
|
[DMS]A:506 |
2 |
1 |
207 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
14030 |
27.9 |
-0.4 |
0.174 |
0 |
0 |
0 |
0.004 |
50 |
|
[XHJ]B:508 |
3 |
1 |
221 |
◊ |
A |
-x,y,-z |
2_555 |
2 |
1 |
14030 |
22.2 |
0.2 |
0.642 |
1 |
0 |
0 |
0.002 |
51 |
|
A |
2 |
2 |
14030 |
◊ |
[LU8]A:507 |
-x-1/2,y-1/2,-z |
4_445 |
3 |
1 |
708 |
19.1 |
0.0 |
0.759 |
0 |
0 |
0 |
0.000 |
52 |
|
B |
5 |
2 |
13883 |
◊ |
[XHJ]B:507 |
-x-1/2,y-1/2,-z-1 |
4_444 |
3 |
1 |
221 |
18.0 |
-0.2 |
0.520 |
0 |
0 |
0 |
0.000 |
53 |
|
B |
1 |
1 |
13883 |
◊ |
A |
x-1/2,y-1/2,z-1 |
3_444 |
1 |
1 |
14030 |
16.1 |
0.6 |
0.908 |
0 |
0 |
0 |
0.000 |
54 |
|
[EDO]A:504 |
2 |
1 |
184 |
f |
A |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
14030 |
13.3 |
0.2 |
0.389 |
0 |
0 |
0 |
0.000 |
55 |
|
[EDO]A:514 |
1 |
1 |
185 |
◊ |
A |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
14030 |
11.4 |
0.3 |
0.921 |
0 |
0 |
0 |
0.000 |
56 |
|
A |
3 |
2 |
14030 |
◊ |
[DMS]A:506 |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
207 |
7.6 |
0.1 |
0.347 |
0 |
0 |
0 |
0.000 |
57 |
|
[SO4]A:511 |
1 |
1 |
183 |
f |
[EDO]A:505 |
x,y,z |
1_555 |
1 |
1 |
186 |
7.5 |
-0.7 |
0.894 |
0 |
0 |
0 |
0.007 |
58 |
|
[DMS]A:506 |
2 |
1 |
207 |
f |
[LU8]A:508 |
x,y,z |
1_555 |
4 |
1 |
702 |
6.6 |
-0.2 |
0.566 |
0 |
0 |
0 |
0.002 |
59 |
|
A |
2 |
2 |
14030 |
◊ |
[XHJ]A:509 |
-x-1/2,y-1/2,-z |
4_445 |
2 |
1 |
222 |
6.1 |
-0.1 |
0.594 |
0 |
0 |
0 |
0.000 |
60 |
|
[SO4]A:510 |
1 |
1 |
183 |
◊ |
[LU8]A:508 |
-x-1/2,y-1/2,-z |
4_445 |
2 |
1 |
702 |
4.9 |
-0.7 |
0.759 |
0 |
0 |
0 |
0.000 |
61 |
|
A |
1 |
1 |
14030 |
◊ |
[SO4]A:512 |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
184 |
3.7 |
-0.4 |
0.891 |
0 |
0 |
0 |
0.000 |
62 |
|
[SO4]B:502 |
1 |
1 |
183 |
f |
[EDO]B:510 |
x,y,z |
1_555 |
1 |
1 |
182 |
2.8 |
-0.2 |
1.000 |
0 |
0 |
0 |
0.002 |
63 |
|
[SO4]A:512 |
1 |
1 |
184 |
f |
[EDO]A:502 |
x,y,z |
1_555 |
1 |
1 |
179 |
2.0 |
-0.1 |
1.000 |
0 |
0 |
0 |
0.001 |
|