## |
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 |
|
C |
105 |
29 |
10815 |
◊ |
B |
x,y,z |
1_555 |
109 |
32 |
16553 |
1015.9 |
-8.8 |
0.251 |
7 |
0 |
0 |
0.133 |
2 |
|
C |
73 |
22 |
10815 |
◊ |
A |
x,y,z |
1_555 |
110 |
32 |
23294 |
833.3 |
-6.8 |
0.272 |
10 |
8 |
0 |
0.117 |
3 |
|
B |
85 |
22 |
16553 |
◊ |
A |
x,y,z |
1_555 |
92 |
24 |
23294 |
788.2 |
-1.6 |
0.529 |
17 |
12 |
0 |
0.273 |
4 |
|
A |
65 |
21 |
23294 |
◊ |
A |
-x,y,-z+1 |
2_556 |
64 |
21 |
23294 |
721.1 |
-21.5 |
0.000 |
0 |
0 |
0 |
0.456 |
5 |
|
D |
51 |
10 |
1709 |
◊ |
B |
x,y,z |
1_555 |
74 |
19 |
16553 |
585.1 |
-11.7 |
0.202 |
7 |
0 |
0 |
0.822 |
6 |
|
B |
56 |
19 |
16553 |
x |
B |
-x+1/2,y-1/2,-z+3 |
4_548 |
55 |
15 |
16553 |
509.9 |
-3.2 |
0.332 |
6 |
0 |
0 |
0.000 |
7 |
|
A |
49 |
16 |
23294 |
◊ |
B |
-x+1/2,y-1/2,-z+2 |
4_547 |
49 |
15 |
16553 |
462.9 |
1.0 |
0.642 |
4 |
0 |
0 |
0.000 |
8 |
|
A |
59 |
17 |
23294 |
◊ |
C |
x,y-1,z |
1_545 |
45 |
9 |
10815 |
459.7 |
-2.0 |
0.461 |
4 |
4 |
0 |
0.000 |
9 |
|
C |
33 |
8 |
10815 |
◊ |
B |
-x+1/2,y-1/2,-z+3 |
4_548 |
42 |
12 |
16553 |
356.0 |
-0.6 |
0.580 |
4 |
6 |
0 |
0.000 |
10 |
|
B |
26 |
9 |
16553 |
◊ |
C |
-x+1/2,y-1/2,-z+3 |
4_548 |
32 |
11 |
10815 |
307.7 |
-4.7 |
0.146 |
1 |
2 |
0 |
0.000 |
11 |
|
[GOL]A:504 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
23294 |
127.8 |
0.4 |
0.582 |
0 |
0 |
0 |
0.000 |
12 |
|
[EDO]B:405 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
23 |
9 |
16553 |
117.6 |
4.3 |
0.681 |
5 |
0 |
0 |
0.000 |
13 |
|
[SO4]C:201 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
19 |
8 |
10815 |
110.8 |
-16.5 |
0.772 |
5 |
0 |
0 |
0.210 |
14 |
|
[EDO]B:406 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
23 |
11 |
16553 |
108.9 |
3.8 |
0.456 |
0 |
0 |
0 |
0.000 |
15 |
|
D |
11 |
3 |
1709 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
10815 |
105.8 |
-1.1 |
0.427 |
1 |
2 |
0 |
0.021 |
16 |
|
[EDO]B:407 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
16553 |
102.9 |
2.5 |
0.408 |
3 |
0 |
0 |
0.000 |
17 |
|
[GOL]C:204 |
6 |
1 |
221 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
16553 |
102.6 |
0.8 |
0.623 |
1 |
0 |
0 |
0.000 |
18 |
|
[SO4]C:202 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
10815 |
102.1 |
-17.9 |
0.735 |
4 |
0 |
0 |
0.221 |
19 |
|
[EDO]B:403 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
16553 |
102.0 |
3.9 |
0.518 |
3 |
0 |
0 |
0.000 |
20 |
|
[GOL]B:402 |
6 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
16553 |
98.8 |
0.5 |
0.628 |
4 |
0 |
0 |
0.070 |
21 |
|
[EDO]C:206 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
19 |
11 |
10815 |
94.6 |
2.2 |
0.280 |
5 |
0 |
0 |
0.000 |
22 |
|
[EDO]B:404 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
16553 |
93.6 |
3.2 |
0.295 |
3 |
0 |
0 |
0.000 |
23 |
|
[GOL]A:503 |
5 |
1 |
223 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
23294 |
90.6 |
-0.3 |
0.498 |
5 |
0 |
0 |
0.106 |
24 |
|
[EDO]A:505 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
23294 |
87.7 |
3.3 |
0.521 |
2 |
0 |
0 |
0.000 |
25 |
|
[EDO]A:506 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
23294 |
87.2 |
2.3 |
0.379 |
2 |
0 |
0 |
0.000 |
26 |
|
[SO4]B:401 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
16553 |
86.0 |
-11.5 |
0.816 |
3 |
0 |
0 |
0.716 |
27 |
|
[GOL]C:205 |
5 |
1 |
222 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
10815 |
85.8 |
-1.3 |
0.383 |
0 |
0 |
0 |
0.014 |
28 |
|
[EDO]A:507 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
23294 |
78.1 |
0.9 |
0.558 |
2 |
0 |
0 |
0.000 |
29 |
|
[SO4]C:203 |
4 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
10815 |
77.2 |
-11.2 |
0.732 |
2 |
0 |
0 |
0.136 |
30 |
|
[SO4]A:502 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
23294 |
71.6 |
-9.3 |
0.727 |
0 |
0 |
0 |
0.395 |
31 |
|
[EDO]B:409 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
16553 |
70.6 |
1.5 |
0.795 |
3 |
0 |
0 |
0.000 |
32 |
|
A |
6 |
4 |
23294 |
◊ |
D |
x,y,z-1 |
1_554 |
6 |
5 |
1709 |
64.1 |
0.3 |
0.664 |
0 |
0 |
0 |
0.000 |
33 |
|
[EDO]A:505 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
16553 |
63.3 |
2.1 |
0.315 |
2 |
0 |
0 |
0.000 |
34 |
|
[EDO]B:408 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
16553 |
60.2 |
1.7 |
0.825 |
1 |
0 |
0 |
0.000 |
35 |
|
[EDO]B:409 |
4 |
1 |
184 |
◊ |
B |
-x+1/2,y-1/2,-z+3 |
4_548 |
11 |
3 |
16553 |
59.5 |
1.3 |
0.725 |
1 |
0 |
0 |
0.000 |
36 |
|
[GOL]C:204 |
4 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
10815 |
44.1 |
0.1 |
0.523 |
1 |
0 |
0 |
0.003 |
37 |
|
[SO4]A:501 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
23294 |
43.8 |
-4.1 |
0.952 |
4 |
0 |
0 |
0.250 |
38 |
|
[EDO]A:508 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
23294 |
42.7 |
1.6 |
0.948 |
1 |
0 |
0 |
0.000 |
39 |
|
[SO4]C:202 |
3 |
1 |
187 |
f |
[SO4]C:201 |
x,y,z |
1_555 |
3 |
1 |
187 |
30.2 |
-7.0 |
0.992 |
0 |
0 |
0 |
0.079 |
40 |
|
A |
4 |
1 |
23294 |
◊ |
[EDO]C:206 |
x,y-1,z |
1_545 |
2 |
1 |
185 |
27.6 |
1.2 |
0.615 |
0 |
0 |
0 |
0.000 |
41 |
|
[EDO]B:409 |
3 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
10815 |
24.4 |
1.4 |
0.960 |
0 |
0 |
0 |
0.000 |
42 |
|
B |
3 |
1 |
16553 |
◊ |
D |
-x+1/2,y-1/2,-z+3 |
4_548 |
5 |
1 |
1709 |
18.7 |
-0.0 |
0.704 |
0 |
0 |
0 |
0.000 |
43 |
|
[EDO]A:507 |
2 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
16553 |
9.3 |
0.3 |
0.809 |
0 |
0 |
0 |
0.000 |
44 |
|
[EDO]B:404 |
2 |
1 |
184 |
f |
C |
-x+1/2,y-1/2,-z+3 |
4_548 |
1 |
1 |
10815 |
8.6 |
0.1 |
0.527 |
0 |
0 |
0 |
0.000 |
45 |
|
[EDO]A:505 |
1 |
1 |
183 |
f |
[SO4]A:501 |
x,y,z |
1_555 |
1 |
1 |
186 |
3.6 |
-0.4 |
1.000 |
0 |
0 |
0 |
0.018 |
|