## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
1 |
|
B |
136 |
33 |
13953 |
◊ |
A |
-x,y,-z |
2_555 |
134 |
34 |
13791 |
1213.6 |
-8.0 |
0.395 |
24 |
7 |
0 |
0.177 |
2 |
2 |
|
[LU8]A:501 |
31 |
1 |
709 |
f |
A |
x,y,z |
1_555 |
56 |
23 |
13791 |
432.5 |
-7.4 |
0.419 |
1 |
0 |
0 |
0.136 |
3 |
|
[LU8]B:501 |
30 |
1 |
696 |
f |
B |
x,y,z |
1_555 |
56 |
23 |
13953 |
429.1 |
-6.9 |
0.412 |
1 |
0 |
0 |
0.136 |
Average: |
430.8 |
-7.2 |
0.415 |
1 |
0 |
0 |
0.136 |
3 |
4 |
|
B |
43 |
12 |
13953 |
◊ |
A |
x,y,z |
1_555 |
41 |
11 |
13791 |
366.6 |
-0.3 |
0.664 |
0 |
0 |
0 |
0.000 |
4 |
5 |
|
[LU8]A:508 |
27 |
1 |
709 |
f |
A |
x,y,z |
1_555 |
41 |
13 |
13791 |
257.6 |
-4.4 |
0.502 |
1 |
0 |
0 |
0.043 |
5 |
6 |
|
B |
23 |
6 |
13953 |
x |
B |
-x-1/2,y-1/2,-z-1 |
4_444 |
34 |
8 |
13953 |
249.8 |
-2.1 |
0.408 |
1 |
0 |
0 |
0.000 |
6 |
7 |
|
A |
31 |
9 |
13791 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
31 |
9 |
13953 |
229.0 |
-0.5 |
0.623 |
0 |
0 |
0 |
0.000 |
7 |
8 |
|
[LU8]A:508 |
23 |
1 |
709 |
◊ |
B |
-x,y,-z |
2_555 |
27 |
9 |
13953 |
186.3 |
-3.5 |
0.418 |
1 |
0 |
0 |
0.035 |
8 |
9 |
|
A |
26 |
6 |
13791 |
◊ |
[LU8]A:509 |
-x-1/2,y-1/2,-z |
4_445 |
19 |
1 |
706 |
184.7 |
-2.7 |
0.504 |
0 |
0 |
0 |
0.000 |
9 |
10 |
|
B |
22 |
6 |
13953 |
◊ |
B |
-x-1,y,-z-1 |
2_454 |
21 |
6 |
13953 |
178.8 |
0.9 |
0.756 |
2 |
0 |
0 |
0.000 |
10 |
11 |
|
A |
22 |
6 |
13791 |
x |
A |
-x-1/2,y-1/2,-z |
4_445 |
19 |
6 |
13791 |
174.0 |
1.4 |
0.819 |
6 |
2 |
0 |
0.000 |
11 |
12 |
|
[LU8]A:509 |
17 |
1 |
706 |
◊ |
B |
-x,y,-z |
2_555 |
21 |
5 |
13953 |
141.0 |
-2.3 |
0.531 |
0 |
0 |
0 |
0.021 |
12 |
13 |
|
A |
14 |
5 |
13791 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
14 |
4 |
13953 |
138.4 |
1.6 |
0.866 |
5 |
0 |
0 |
0.000 |
13 |
14 |
|
[LU8]A:509 |
20 |
1 |
706 |
f |
[LU8]A:508 |
x,y,z |
1_555 |
22 |
1 |
709 |
137.1 |
-1.1 |
0.823 |
0 |
0 |
0 |
0.010 |
14 |
15 |
|
B |
14 |
3 |
13953 |
◊ |
A |
x-1/2,y+1/2,z-1 |
3_454 |
14 |
4 |
13791 |
135.9 |
-1.3 |
0.393 |
0 |
0 |
0 |
0.000 |
15 |
16 |
|
[LU8]A:509 |
16 |
1 |
706 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
13791 |
128.1 |
-3.0 |
0.360 |
0 |
0 |
0 |
0.027 |
16 |
17 |
|
[XKY]B:505 |
7 |
1 |
243 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
13953 |
121.8 |
0.3 |
0.726 |
1 |
0 |
0 |
0.001 |
17 |
18 |
|
[EDO]B:503 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
13953 |
116.3 |
4.2 |
0.713 |
3 |
0 |
0 |
0.000 |
19 |
|
[EDO]A:503 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
13791 |
115.3 |
4.0 |
0.527 |
2 |
0 |
0 |
0.000 |
Average: |
115.8 |
4.1 |
0.620 |
3 |
0 |
0 |
0.000 |
18 |
20 |
|
[EDO]B:508 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
13953 |
107.5 |
3.7 |
0.497 |
5 |
0 |
0 |
0.000 |
19 |
21 |
|
[EDO]A:502 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
13791 |
104.7 |
3.9 |
0.499 |
4 |
0 |
0 |
0.000 |
20 |
22 |
|
[EDO]A:514 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
13791 |
101.7 |
3.1 |
0.488 |
4 |
0 |
0 |
0.000 |
21 |
23 |
|
[SO4]A:511 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
13791 |
100.4 |
-14.4 |
0.852 |
2 |
0 |
0 |
0.137 |
22 |
24 |
|
[SO4]B:502 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
13953 |
100.0 |
-14.3 |
0.826 |
2 |
0 |
0 |
0.136 |
23 |
25 |
|
[SO4]A:513 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
13791 |
93.9 |
-12.2 |
0.932 |
3 |
0 |
0 |
0.121 |
24 |
26 |
|
[EDO]A:505 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
13791 |
93.3 |
3.1 |
0.539 |
4 |
0 |
0 |
0.000 |
25 |
27 |
|
[TLA]A:507 |
8 |
1 |
271 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
13791 |
90.0 |
-0.1 |
0.399 |
3 |
0 |
0 |
0.013 |
26 |
28 |
|
[XKY]A:510 |
7 |
1 |
243 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
13791 |
83.9 |
-0.5 |
0.546 |
0 |
0 |
0 |
0.000 |
27 |
29 |
|
[EDO]A:518 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
13791 |
80.1 |
3.0 |
0.325 |
2 |
0 |
0 |
0.000 |
28 |
30 |
|
[EDO]A:516 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
13791 |
78.7 |
1.9 |
0.480 |
1 |
0 |
0 |
0.000 |
29 |
31 |
|
[EDO]B:510 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
13953 |
78.3 |
1.4 |
0.214 |
1 |
0 |
0 |
0.000 |
30 |
32 |
|
[EDO]B:509 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
10 |
6 |
13953 |
76.6 |
1.4 |
0.633 |
2 |
0 |
0 |
0.000 |
31 |
33 |
|
[EDO]A:515 |
4 |
1 |
183 |
◊ |
B |
-x,y,-z |
2_555 |
9 |
5 |
13953 |
75.2 |
1.4 |
0.185 |
0 |
0 |
0 |
0.000 |
32 |
34 |
|
[SO4]B:507 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
13953 |
72.6 |
-9.4 |
0.815 |
1 |
0 |
0 |
0.088 |
33 |
35 |
|
A |
13 |
4 |
13791 |
f |
[XKY]A:510 |
-x-1/2,y-1/2,-z |
4_445 |
6 |
1 |
243 |
72.3 |
-1.7 |
0.368 |
0 |
0 |
0 |
0.015 |
34 |
36 |
|
[SO4]A:512 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
13791 |
68.9 |
-9.8 |
0.813 |
2 |
0 |
0 |
0.096 |
35 |
37 |
|
[DMS]B:504 |
4 |
1 |
207 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
13953 |
68.3 |
3.2 |
0.483 |
1 |
0 |
0 |
0.000 |
36 |
38 |
|
[SO4]B:506 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
13953 |
67.5 |
-9.9 |
0.601 |
2 |
0 |
0 |
0.097 |
37 |
39 |
|
[EDO]A:517 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
13791 |
66.3 |
1.1 |
0.548 |
1 |
0 |
0 |
0.000 |
38 |
40 |
|
B |
11 |
3 |
13953 |
◊ |
[LU8]B:501 |
-x-1/2,y-1/2,-z-1 |
4_444 |
6 |
1 |
696 |
62.6 |
-0.9 |
0.577 |
0 |
0 |
0 |
0.000 |
39 |
41 |
|
[EDO]A:504 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
13791 |
60.2 |
1.7 |
0.872 |
1 |
0 |
0 |
0.000 |
40 |
42 |
|
[DMS]A:506 |
3 |
1 |
206 |
◊ |
B |
-x,y,-z |
2_555 |
6 |
2 |
13953 |
57.6 |
1.5 |
0.460 |
1 |
0 |
0 |
0.000 |
41 |
43 |
|
[SO4]A:512 |
4 |
1 |
183 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
7 |
3 |
13953 |
50.6 |
-6.3 |
0.781 |
1 |
0 |
0 |
0.000 |
42 |
44 |
|
[XKY]A:510 |
6 |
1 |
243 |
◊ |
[LU8]A:509 |
x,y,z |
1_555 |
6 |
1 |
706 |
47.1 |
-0.9 |
0.653 |
0 |
0 |
0 |
0.000 |
43 |
45 |
|
[EDO]A:505 |
4 |
1 |
181 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
7 |
2 |
13953 |
43.2 |
1.2 |
0.799 |
1 |
0 |
0 |
0.000 |
44 |
46 |
|
[EDO]A:516 |
3 |
1 |
184 |
◊ |
[LU8]A:509 |
-x-1/2,y-1/2,-z |
4_445 |
7 |
1 |
706 |
42.0 |
1.2 |
0.318 |
0 |
0 |
0 |
0.000 |
45 |
47 |
|
[EDO]A:515 |
3 |
1 |
183 |
f |
[LU8]A:508 |
x,y,z |
1_555 |
6 |
1 |
709 |
40.2 |
1.5 |
0.894 |
0 |
0 |
0 |
0.000 |
46 |
48 |
|
[EDO]A:515 |
3 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
13791 |
39.0 |
0.4 |
0.702 |
1 |
0 |
0 |
0.000 |
47 |
49 |
|
[EDO]A:516 |
2 |
1 |
184 |
◊ |
[LU8]A:508 |
-x-1/2,y-1/2,-z |
4_445 |
4 |
1 |
709 |
31.7 |
0.7 |
0.583 |
0 |
0 |
0 |
0.000 |
48 |
50 |
|
[DMS]A:506 |
3 |
1 |
206 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
13791 |
28.7 |
-0.2 |
0.120 |
0 |
0 |
0 |
0.002 |
49 |
51 |
|
[TLA]A:507 |
3 |
1 |
271 |
◊ |
A |
-x,y,-z+1 |
2_556 |
4 |
3 |
13791 |
26.9 |
-1.0 |
0.395 |
0 |
0 |
0 |
0.000 |
50 |
52 |
|
[EDO]A:516 |
3 |
1 |
184 |
◊ |
A |
-x-1/2,y-1/2,-z |
4_445 |
2 |
1 |
13791 |
24.2 |
0.8 |
0.964 |
1 |
0 |
0 |
0.000 |
51 |
53 |
|
A |
2 |
2 |
13791 |
◊ |
[LU8]A:508 |
-x-1/2,y-1/2,-z |
4_445 |
5 |
1 |
709 |
22.3 |
0.2 |
0.793 |
0 |
0 |
0 |
0.000 |
52 |
54 |
|
[DMS]A:506 |
3 |
1 |
206 |
f |
[LU8]A:509 |
x,y,z |
1_555 |
6 |
1 |
706 |
22.2 |
-0.1 |
0.369 |
0 |
0 |
0 |
0.001 |
53 |
55 |
|
[XKY]B:505 |
4 |
1 |
243 |
◊ |
B |
-x-1/2,y-1/2,-z-1 |
4_444 |
4 |
2 |
13953 |
21.4 |
-0.0 |
0.667 |
0 |
0 |
0 |
0.000 |
54 |
56 |
|
A |
6 |
2 |
13791 |
◊ |
[DMS]A:506 |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
206 |
17.3 |
0.5 |
0.517 |
0 |
0 |
0 |
0.000 |
55 |
57 |
|
[EDO]A:504 |
2 |
1 |
185 |
f |
A |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
13791 |
13.8 |
0.0 |
0.389 |
0 |
0 |
0 |
0.000 |
56 |
58 |
|
[SO4]B:507 |
2 |
1 |
184 |
f |
[SO4]B:506 |
x,y,z |
1_555 |
1 |
1 |
184 |
10.0 |
-2.2 |
0.876 |
0 |
0 |
0 |
0.020 |
57 |
59 |
|
[SO4]A:513 |
1 |
1 |
185 |
f |
[EDO]A:505 |
x,y,z |
1_555 |
1 |
1 |
181 |
8.6 |
-0.9 |
0.894 |
0 |
0 |
0 |
0.008 |
58 |
60 |
|
A |
1 |
1 |
13791 |
◊ |
[SO4]A:511 |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
184 |
1.8 |
-0.2 |
0.865 |
0 |
0 |
0 |
0.000 |
59 |
61 |
|
[EDO]B:510 |
2 |
1 |
182 |
f |
A |
x-1/2,y+1/2,z-1 |
3_454 |
1 |
1 |
13791 |
1.6 |
0.1 |
0.852 |
0 |
0 |
0 |
0.000 |
60 |
62 |
|
[EDO]B:509 |
1 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
13791 |
1.1 |
0.1 |
0.875 |
0 |
0 |
0 |
0.000 |
61 |
63 |
|
[DMS]B:504 |
1 |
1 |
207 |
f |
B |
-x-1/2,y-1/2,-z-1 |
4_444 |
1 |
1 |
13953 |
0.8 |
0.0 |
0.414 |
0 |
0 |
0 |
0.000 |
62 |
64 |
|
[SO4]A:512 |
1 |
1 |
183 |
◊ |
[LU8]A:509 |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
706 |
0.4 |
-0.1 |
0.866 |
0 |
0 |
0 |
0.000 |
|