## |
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 |
|
C |
73 |
23 |
14221 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
78 |
24 |
14352 |
774.2 |
-5.7 |
0.243 |
5 |
0 |
0 |
0.000 |
2 |
2 |
|
C |
65 |
19 |
14221 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
62 |
21 |
14352 |
611.0 |
-7.4 |
0.188 |
5 |
3 |
0 |
0.000 |
3 |
3 |
|
D |
65 |
20 |
13914 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
56 |
17 |
14352 |
579.4 |
-4.1 |
0.478 |
7 |
8 |
0 |
0.000 |
4 |
|
C |
53 |
16 |
14221 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
58 |
16 |
13899 |
569.1 |
-4.8 |
0.442 |
7 |
7 |
0 |
0.000 |
Average: |
574.3 |
-4.5 |
0.460 |
7 |
8 |
0 |
0.000 |
4 |
5 |
|
D |
55 |
18 |
13914 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
54 |
18 |
13899 |
514.3 |
-5.6 |
0.340 |
6 |
2 |
0 |
0.000 |
5 |
6 |
|
[KWJ]A:401 |
29 |
1 |
577 |
f |
A |
x,y,z |
1_555 |
51 |
21 |
14352 |
396.1 |
5.2 |
0.391 |
3 |
0 |
0 |
0.000 |
7 |
|
[KWJ]D:401 |
29 |
1 |
575 |
f |
D |
x,y,z |
1_555 |
54 |
21 |
13914 |
395.0 |
4.2 |
0.316 |
2 |
0 |
0 |
0.000 |
8 |
|
[KWJ]C:401 |
27 |
1 |
570 |
f |
C |
x,y,z |
1_555 |
45 |
20 |
14221 |
357.1 |
3.7 |
0.298 |
3 |
0 |
0 |
0.000 |
9 |
|
[KWJ]B:401 |
27 |
1 |
569 |
f |
B |
x,y,z |
1_555 |
50 |
20 |
13899 |
348.0 |
2.6 |
0.259 |
2 |
0 |
0 |
0.000 |
Average: |
374.1 |
3.9 |
0.316 |
3 |
0 |
0 |
0.000 |
6 |
10 |
|
D |
35 |
13 |
13914 |
◊ |
A |
x-1,y,z |
1_455 |
37 |
11 |
14352 |
340.9 |
-4.0 |
0.293 |
6 |
0 |
0 |
0.100 |
7 |
11 |
|
B |
28 |
9 |
13899 |
◊ |
A |
x,y,z |
1_555 |
25 |
10 |
14352 |
271.8 |
0.9 |
0.686 |
3 |
4 |
0 |
0.000 |
8 |
12 |
|
B |
22 |
7 |
13899 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
19 |
6 |
14352 |
214.4 |
-1.0 |
0.542 |
2 |
0 |
0 |
0.000 |
9 |
13 |
|
C |
21 |
9 |
14221 |
◊ |
B |
x,y-1,z |
1_545 |
16 |
8 |
13899 |
204.9 |
-4.5 |
0.113 |
0 |
0 |
0 |
0.000 |
10 |
14 |
|
C |
19 |
6 |
14221 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
26 |
10 |
13914 |
202.2 |
-1.5 |
0.468 |
2 |
0 |
0 |
0.028 |
11 |
15 |
|
D |
20 |
7 |
13914 |
◊ |
C |
x,y,z |
1_555 |
17 |
6 |
14221 |
201.5 |
0.2 |
0.698 |
2 |
3 |
0 |
0.000 |
12 |
16 |
|
[PEG]B:405 |
7 |
1 |
261 |
f |
B |
x,y,z |
1_555 |
37 |
12 |
13899 |
177.0 |
4.1 |
0.558 |
2 |
0 |
0 |
0.000 |
13 |
17 |
|
[EDO]B:406 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
18 |
9 |
13899 |
117.2 |
3.1 |
0.462 |
2 |
0 |
0 |
0.000 |
14 |
18 |
|
[EDO]A:403 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
14352 |
107.4 |
2.9 |
0.466 |
1 |
0 |
0 |
0.000 |
15 |
19 |
|
[EDO]D:407 |
4 |
1 |
188 |
f |
A |
x-1/2,-y-1/2,-z |
4_445 |
13 |
5 |
14352 |
93.0 |
1.5 |
0.212 |
3 |
0 |
0 |
0.000 |
16 |
20 |
|
[SO4]D:405 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
13914 |
91.0 |
-11.3 |
0.897 |
3 |
0 |
0 |
0.189 |
17 |
21 |
|
D |
8 |
2 |
13914 |
x |
D |
x-1/2,-y-1/2,-z |
4_445 |
9 |
4 |
13914 |
89.8 |
-1.3 |
0.317 |
0 |
0 |
0 |
0.000 |
18 |
22 |
|
[EDO]B:409 |
4 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
13899 |
83.5 |
2.5 |
0.298 |
1 |
0 |
0 |
0.000 |
19 |
23 |
|
[EDO]D:406 |
4 |
1 |
187 |
f |
A |
x-1/2,-y-1/2,-z |
4_445 |
14 |
4 |
14352 |
81.1 |
2.5 |
0.317 |
3 |
0 |
0 |
0.000 |
20 |
24 |
|
C |
13 |
6 |
14221 |
◊ |
[EDO]B:407 |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
185 |
80.6 |
2.7 |
0.464 |
0 |
0 |
0 |
0.000 |
21 |
25 |
|
[SO4]B:403 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
13899 |
79.6 |
-9.9 |
0.948 |
4 |
0 |
0 |
0.052 |
22 |
26 |
|
[SO4]D:402 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
13914 |
76.0 |
-10.1 |
0.951 |
4 |
0 |
0 |
0.177 |
23 |
27 |
|
[SO4]B:404 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
13899 |
75.6 |
-9.2 |
0.936 |
3 |
0 |
0 |
0.047 |
24 |
28 |
|
[SO4]C:403 |
4 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
14221 |
75.3 |
-9.0 |
0.850 |
2 |
0 |
0 |
0.118 |
25 |
29 |
|
[SO4]C:402 |
4 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
14221 |
73.9 |
-10.3 |
0.770 |
3 |
0 |
0 |
0.139 |
26 |
30 |
|
[SO4]C:404 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
14221 |
72.3 |
-8.7 |
0.959 |
4 |
0 |
0 |
0.125 |
27 |
31 |
|
[SO4]D:404 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
13914 |
71.8 |
-8.6 |
0.963 |
3 |
0 |
0 |
0.148 |
28 |
32 |
|
[SO4]C:405 |
5 |
1 |
186 |
f |
D |
x-1/2,-y-1/2,-z |
4_445 |
11 |
5 |
13914 |
71.4 |
-8.0 |
0.952 |
3 |
0 |
0 |
0.140 |
29 |
33 |
|
[EDO]D:406 |
4 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
12 |
3 |
13914 |
70.9 |
2.3 |
0.294 |
2 |
0 |
0 |
0.000 |
30 |
34 |
|
[SO4]A:402 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
14352 |
68.6 |
-8.6 |
0.882 |
2 |
0 |
0 |
0.142 |
31 |
35 |
|
[EDO]C:406 |
4 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
14221 |
68.0 |
1.5 |
0.668 |
0 |
0 |
0 |
0.000 |
32 |
36 |
|
[EDO]B:407 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
13899 |
67.4 |
2.1 |
0.942 |
4 |
0 |
0 |
0.000 |
33 |
37 |
|
[EDO]D:407 |
3 |
1 |
188 |
◊ |
D |
x,y,z |
1_555 |
12 |
6 |
13914 |
66.3 |
2.1 |
0.304 |
2 |
0 |
0 |
0.000 |
34 |
38 |
|
[SO4]B:402 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
13899 |
66.3 |
-7.9 |
0.966 |
3 |
0 |
0 |
0.041 |
35 |
39 |
|
C |
9 |
4 |
14221 |
◊ |
[EDO]B:410 |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
188 |
62.7 |
3.1 |
0.981 |
1 |
0 |
0 |
0.000 |
36 |
40 |
|
[SO4]D:403 |
5 |
1 |
187 |
f |
A |
x-1,y,z |
1_455 |
9 |
4 |
14352 |
61.2 |
-8.3 |
0.825 |
1 |
0 |
0 |
0.131 |
37 |
41 |
|
[SO4]D:403 |
4 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
13914 |
59.7 |
-7.3 |
0.931 |
3 |
0 |
0 |
0.130 |
38 |
42 |
|
[EDO]C:407 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
14221 |
55.5 |
0.6 |
0.578 |
1 |
0 |
0 |
0.000 |
39 |
43 |
|
[SO4]C:402 |
4 |
1 |
187 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
5 |
3 |
13914 |
49.1 |
-7.1 |
0.547 |
1 |
0 |
0 |
0.089 |
40 |
44 |
|
[EDO]B:410 |
2 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
13899 |
48.6 |
2.1 |
0.681 |
1 |
0 |
0 |
0.000 |
41 |
45 |
|
[SO4]C:405 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
14221 |
45.0 |
-5.5 |
0.858 |
2 |
0 |
0 |
0.076 |
42 |
46 |
|
[EDO]B:408 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
13899 |
42.0 |
1.2 |
0.907 |
1 |
0 |
0 |
0.000 |
43 |
47 |
|
C |
6 |
3 |
14221 |
f |
[EDO]B:408 |
x,y-1,z |
1_545 |
3 |
1 |
184 |
37.8 |
0.7 |
0.777 |
1 |
0 |
0 |
0.000 |
44 |
48 |
|
C |
1 |
1 |
14221 |
f |
[EDO]B:406 |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
184 |
29.9 |
0.3 |
0.245 |
0 |
0 |
0 |
0.000 |
45 |
49 |
|
[SO4]D:403 |
1 |
1 |
187 |
◊ |
[SO4]D:402 |
x,y,z |
1_555 |
1 |
1 |
186 |
1.9 |
-0.5 |
1.000 |
0 |
0 |
0 |
0.007 |
|