## |
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 |
135 |
32 |
13963 |
◊ |
A |
-x,y,-z |
2_555 |
132 |
34 |
13786 |
1224.7 |
-7.4 |
0.472 |
23 |
6 |
0 |
0.151 |
2 |
|
[LU8]A:501 |
31 |
1 |
699 |
f |
A |
x,y,z |
1_555 |
58 |
25 |
13786 |
438.9 |
-7.5 |
0.415 |
1 |
0 |
0 |
0.065 |
3 |
|
[LU8]B:501 |
31 |
1 |
700 |
f |
B |
x,y,z |
1_555 |
59 |
24 |
13963 |
434.1 |
-7.9 |
0.421 |
1 |
0 |
0 |
0.068 |
4 |
|
B |
44 |
12 |
13963 |
◊ |
A |
x,y,z |
1_555 |
39 |
10 |
13786 |
362.6 |
0.1 |
0.715 |
1 |
0 |
0 |
0.000 |
5 |
|
B |
28 |
6 |
13963 |
x |
B |
-x-1/2,y-1/2,-z-1 |
4_444 |
33 |
8 |
13963 |
267.1 |
-2.7 |
0.356 |
1 |
0 |
0 |
0.000 |
6 |
|
A |
31 |
9 |
13786 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
31 |
8 |
13963 |
221.8 |
-0.4 |
0.643 |
0 |
0 |
0 |
0.000 |
7 |
|
[LU8]A:507 |
21 |
1 |
705 |
f |
A |
x,y,z |
1_555 |
37 |
13 |
13786 |
214.9 |
-5.1 |
0.345 |
1 |
0 |
0 |
0.045 |
8 |
|
[LU8]A:507 |
23 |
1 |
705 |
◊ |
B |
-x,y,-z |
2_555 |
27 |
9 |
13963 |
186.7 |
-3.6 |
0.427 |
1 |
0 |
0 |
0.033 |
9 |
|
A |
25 |
5 |
13786 |
◊ |
[LU8]A:508 |
-x-1/2,y-1/2,-z |
4_445 |
19 |
1 |
700 |
181.5 |
-3.0 |
0.446 |
0 |
0 |
0 |
0.000 |
10 |
|
B |
21 |
6 |
13963 |
◊ |
B |
-x-1,y,-z-1 |
2_454 |
21 |
6 |
13963 |
174.4 |
1.0 |
0.777 |
2 |
0 |
0 |
0.000 |
11 |
|
B |
16 |
4 |
13963 |
◊ |
A |
x-1/2,y+1/2,z-1 |
3_454 |
15 |
5 |
13786 |
148.6 |
-0.9 |
0.489 |
0 |
0 |
0 |
0.000 |
12 |
|
A |
16 |
5 |
13786 |
x |
A |
-x-1/2,y-1/2,-z |
4_445 |
17 |
6 |
13786 |
144.7 |
0.8 |
0.782 |
5 |
2 |
0 |
0.000 |
13 |
|
[LU8]A:508 |
16 |
1 |
700 |
◊ |
B |
-x,y,-z |
2_555 |
21 |
5 |
13963 |
140.6 |
-2.1 |
0.549 |
0 |
0 |
0 |
0.017 |
14 |
|
A |
16 |
5 |
13786 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
13 |
4 |
13963 |
139.9 |
1.7 |
0.869 |
5 |
0 |
0 |
0.000 |
15 |
|
[LU8]A:508 |
22 |
1 |
700 |
f |
[LU8]A:507 |
x,y,z |
1_555 |
20 |
1 |
705 |
133.3 |
-1.5 |
0.804 |
0 |
0 |
0 |
0.012 |
16 |
|
[XGS]B:506 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
21 |
5 |
13963 |
118.7 |
-0.8 |
0.518 |
2 |
0 |
0 |
0.014 |
17 |
|
[XGS]B:509 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
22 |
9 |
13963 |
115.8 |
-0.9 |
0.550 |
1 |
0 |
0 |
0.011 |
18 |
|
[EDO]A:503 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
13786 |
115.1 |
4.0 |
0.532 |
2 |
0 |
0 |
0.000 |
19 |
|
[XGS]A:511 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
13786 |
112.1 |
-1.5 |
0.459 |
0 |
0 |
0 |
0.012 |
20 |
|
[XGS]B:505 |
6 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
13963 |
111.9 |
0.4 |
0.710 |
2 |
0 |
0 |
0.004 |
21 |
|
[XGS]A:510 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
13786 |
111.5 |
-1.1 |
0.527 |
0 |
0 |
0 |
0.009 |
22 |
|
[EDO]B:503 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
22 |
9 |
13963 |
108.2 |
3.8 |
0.721 |
3 |
0 |
0 |
0.000 |
23 |
|
[EDO]A:502 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
13786 |
104.9 |
3.6 |
0.507 |
4 |
0 |
0 |
0.000 |
24 |
|
[XGS]A:512 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
13786 |
103.0 |
0.0 |
0.670 |
3 |
0 |
0 |
0.011 |
25 |
|
[SO4]A:514 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
13786 |
102.6 |
-14.7 |
0.856 |
3 |
0 |
0 |
0.131 |
26 |
|
[LU8]A:508 |
13 |
1 |
700 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
13786 |
102.4 |
-3.1 |
0.255 |
0 |
0 |
0 |
0.025 |
27 |
|
[XGS]B:508 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
13963 |
102.1 |
-0.4 |
0.571 |
2 |
0 |
0 |
0.011 |
28 |
|
[SO4]B:502 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
13963 |
99.6 |
-14.2 |
0.828 |
3 |
0 |
0 |
0.127 |
29 |
|
[XGS]B:507 |
6 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
13963 |
98.6 |
0.6 |
0.757 |
0 |
0 |
0 |
0.000 |
30 |
|
[EDO]A:505 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
13786 |
93.0 |
3.1 |
0.520 |
6 |
0 |
0 |
0.000 |
31 |
|
[SO4]A:516 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
13786 |
92.4 |
-12.0 |
0.931 |
3 |
0 |
0 |
0.109 |
32 |
|
[EDO]B:514 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
13963 |
88.0 |
2.7 |
0.465 |
3 |
0 |
0 |
0.000 |
33 |
|
[TLA]A:506 |
9 |
1 |
267 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
13786 |
86.0 |
-0.0 |
0.372 |
1 |
0 |
0 |
0.004 |
34 |
|
[XGS]A:509 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
13786 |
85.3 |
-0.1 |
0.647 |
1 |
0 |
0 |
0.004 |
35 |
|
[SO4]B:512 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
13963 |
78.7 |
-10.4 |
0.808 |
1 |
0 |
0 |
0.089 |
36 |
|
[EDO]A:518 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
13786 |
78.0 |
1.7 |
0.242 |
0 |
0 |
0 |
0.000 |
37 |
|
[EDO]B:515 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
13963 |
78.0 |
1.4 |
0.216 |
1 |
0 |
0 |
0.000 |
38 |
|
[EDO]B:513 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
13963 |
77.2 |
1.9 |
0.225 |
1 |
0 |
0 |
0.000 |
39 |
|
[EDO]A:517 |
4 |
1 |
183 |
◊ |
B |
-x,y,-z |
2_555 |
11 |
5 |
13963 |
75.1 |
1.3 |
0.194 |
0 |
0 |
0 |
0.000 |
40 |
|
[SO4]A:515 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
13786 |
67.6 |
-9.5 |
0.815 |
2 |
0 |
0 |
0.085 |
41 |
|
[DMS]B:504 |
4 |
1 |
208 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
13963 |
66.4 |
3.2 |
0.484 |
1 |
0 |
0 |
0.000 |
42 |
|
[XGS]A:513 |
5 |
1 |
222 |
◊ |
A |
-x-1/2,y-1/2,-z |
4_445 |
10 |
4 |
13786 |
64.8 |
-0.8 |
0.469 |
0 |
0 |
0 |
0.000 |
43 |
|
[EDO]A:519 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
13786 |
63.4 |
1.0 |
0.624 |
1 |
0 |
0 |
0.000 |
44 |
|
[XGS]A:513 |
5 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
13786 |
63.3 |
-0.0 |
0.566 |
1 |
0 |
0 |
0.004 |
45 |
|
[EDO]A:504 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
13786 |
60.5 |
1.8 |
0.888 |
1 |
0 |
0 |
0.000 |
46 |
|
[XGS]B:510 |
5 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
13963 |
59.3 |
0.0 |
0.623 |
1 |
0 |
0 |
0.003 |
47 |
|
[SO4]B:511 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
13963 |
56.1 |
-7.6 |
0.575 |
1 |
0 |
0 |
0.066 |
48 |
|
[XGS]B:510 |
4 |
1 |
221 |
◊ |
[LU8]A:508 |
-x,y,-z |
2_555 |
3 |
1 |
700 |
50.2 |
0.3 |
0.719 |
0 |
0 |
0 |
0.000 |
49 |
|
[XGS]A:513 |
6 |
1 |
222 |
◊ |
[LU8]A:508 |
-x-1/2,y-1/2,-z |
4_445 |
6 |
1 |
700 |
50.1 |
-0.2 |
0.701 |
0 |
0 |
0 |
0.000 |
50 |
|
[SO4]A:515 |
4 |
1 |
183 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
6 |
3 |
13963 |
48.0 |
-5.9 |
0.796 |
1 |
0 |
0 |
0.000 |
51 |
|
[EDO]A:505 |
4 |
1 |
185 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
8 |
2 |
13963 |
47.0 |
1.0 |
0.781 |
1 |
0 |
0 |
0.000 |
52 |
|
[EDO]A:518 |
3 |
1 |
184 |
◊ |
[LU8]A:508 |
-x-1/2,y-1/2,-z |
4_445 |
7 |
1 |
700 |
46.6 |
1.5 |
0.316 |
0 |
0 |
0 |
0.000 |
53 |
|
B |
9 |
3 |
13963 |
◊ |
[LU8]B:501 |
-x-1/2,y-1/2,-z-1 |
4_444 |
5 |
1 |
700 |
44.4 |
-0.9 |
0.556 |
0 |
0 |
0 |
0.000 |
54 |
|
[XGS]B:507 |
3 |
1 |
220 |
f |
B |
-x-1,y,-z-1 |
2_454 |
8 |
2 |
13963 |
38.5 |
-0.9 |
0.447 |
0 |
0 |
0 |
0.007 |
55 |
|
[EDO]A:517 |
2 |
1 |
183 |
f |
[LU8]A:507 |
x,y,z |
1_555 |
6 |
1 |
705 |
37.6 |
1.3 |
0.629 |
0 |
0 |
0 |
0.000 |
56 |
|
[EDO]A:518 |
2 |
1 |
184 |
◊ |
[LU8]A:507 |
-x-1/2,y-1/2,-z |
4_445 |
4 |
1 |
705 |
33.2 |
0.7 |
0.575 |
0 |
0 |
0 |
0.000 |
57 |
|
[EDO]A:504 |
2 |
1 |
183 |
f |
A |
-x-1/2,y-1/2,-z |
4_445 |
4 |
2 |
13786 |
31.1 |
0.2 |
0.523 |
0 |
0 |
0 |
0.000 |
58 |
|
[XGS]B:507 |
3 |
1 |
220 |
◊ |
[EDO]B:503 |
x,y,z |
1_555 |
2 |
1 |
187 |
27.8 |
1.1 |
0.612 |
0 |
0 |
0 |
0.000 |
59 |
|
[EDO]B:514 |
2 |
1 |
183 |
◊ |
B |
-x-1/2,y-1/2,-z-1 |
4_444 |
4 |
2 |
13963 |
25.5 |
0.9 |
0.933 |
1 |
0 |
0 |
0.000 |
60 |
|
[XGS]A:513 |
3 |
1 |
222 |
◊ |
[LU8]A:507 |
-x-1/2,y-1/2,-z |
4_445 |
3 |
1 |
705 |
24.7 |
-0.5 |
0.580 |
0 |
0 |
0 |
0.000 |
61 |
|
[XGS]B:506 |
4 |
1 |
221 |
f |
[EDO]B:513 |
x,y,z |
1_555 |
2 |
1 |
186 |
24.3 |
0.5 |
0.804 |
0 |
0 |
0 |
0.000 |
62 |
|
[XGS]B:510 |
3 |
1 |
221 |
◊ |
[LU8]A:507 |
-x,y,-z |
2_555 |
4 |
1 |
705 |
24.1 |
0.0 |
0.633 |
0 |
0 |
0 |
0.000 |
63 |
|
[XGS]B:505 |
2 |
1 |
222 |
◊ |
B |
-x-1/2,y-1/2,-z-1 |
4_444 |
4 |
2 |
13963 |
20.5 |
0.1 |
0.656 |
0 |
0 |
0 |
0.000 |
64 |
|
[XGS]B:505 |
3 |
1 |
222 |
f |
[EDO]B:514 |
x,y,z |
1_555 |
2 |
1 |
183 |
20.3 |
0.6 |
0.866 |
1 |
0 |
0 |
0.000 |
65 |
|
[XGS]A:511 |
4 |
1 |
222 |
f |
[EDO]A:519 |
x,y,z |
1_555 |
3 |
1 |
183 |
20.1 |
0.5 |
0.804 |
0 |
0 |
0 |
0.000 |
66 |
|
[EDO]A:517 |
2 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
13786 |
19.8 |
-0.1 |
0.445 |
0 |
0 |
0 |
0.000 |
67 |
|
A |
1 |
1 |
13786 |
◊ |
[LU8]A:507 |
-x-1/2,y-1/2,-z |
4_445 |
4 |
1 |
705 |
15.6 |
-0.0 |
0.776 |
0 |
0 |
0 |
0.000 |
68 |
|
[EDO]B:515 |
4 |
1 |
182 |
f |
A |
x-1/2,y+1/2,z-1 |
3_454 |
2 |
2 |
13786 |
11.9 |
0.3 |
0.885 |
0 |
0 |
0 |
0.000 |
69 |
|
[TLA]A:506 |
4 |
1 |
267 |
◊ |
A |
-x,y,-z+1 |
2_556 |
2 |
2 |
13786 |
10.0 |
0.2 |
0.507 |
0 |
0 |
0 |
0.000 |
70 |
|
[SO4]B:512 |
3 |
1 |
184 |
f |
[SO4]B:511 |
x,y,z |
1_555 |
2 |
1 |
184 |
9.9 |
-2.2 |
0.976 |
0 |
0 |
0 |
0.018 |
71 |
|
B |
4 |
1 |
13963 |
◊ |
[XGS]B:508 |
-x-1/2,y-1/2,-z-1 |
4_444 |
1 |
1 |
221 |
8.6 |
-0.2 |
0.534 |
0 |
0 |
0 |
0.000 |
72 |
|
[SO4]A:515 |
1 |
1 |
183 |
◊ |
[LU8]A:508 |
-x-1/2,y-1/2,-z |
4_445 |
2 |
1 |
700 |
8.1 |
-1.2 |
0.738 |
0 |
0 |
0 |
0.000 |
73 |
|
[XGS]A:511 |
2 |
1 |
222 |
f |
[LU8]A:501 |
x,y,z |
1_555 |
2 |
1 |
699 |
6.8 |
-0.1 |
0.636 |
0 |
0 |
0 |
0.000 |
74 |
|
[SO4]A:516 |
1 |
1 |
184 |
f |
[EDO]A:505 |
x,y,z |
1_555 |
1 |
1 |
185 |
6.6 |
-0.7 |
0.894 |
0 |
0 |
0 |
0.005 |
75 |
|
A |
2 |
1 |
13786 |
◊ |
[XGS]B:510 |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
221 |
5.0 |
0.1 |
0.597 |
0 |
0 |
0 |
0.000 |
76 |
|
[SO4]A:514 |
1 |
1 |
183 |
f |
[EDO]A:502 |
x,y,z |
1_555 |
1 |
1 |
181 |
3.3 |
-0.3 |
1.000 |
0 |
0 |
0 |
0.003 |
77 |
|
A |
1 |
1 |
13786 |
◊ |
[SO4]A:514 |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
183 |
2.5 |
-0.3 |
0.880 |
0 |
0 |
0 |
0.000 |
78 |
|
[DMS]B:504 |
1 |
1 |
208 |
f |
B |
-x-1/2,y-1/2,-z-1 |
4_444 |
1 |
1 |
13963 |
2.2 |
0.1 |
0.427 |
0 |
0 |
0 |
0.000 |
79 |
|
[EDO]B:503 |
1 |
1 |
187 |
◊ |
B |
-x-1,y,-z-1 |
2_454 |
1 |
1 |
13963 |
1.2 |
-0.0 |
0.703 |
0 |
0 |
0 |
0.000 |
|