## |
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 |
112 |
28 |
13265 |
◊ |
A |
x,y,z |
1_555 |
111 |
33 |
11969 |
999.7 |
-11.2 |
0.701 |
7 |
4 |
0 |
0.205 |
2 |
|
C |
117 |
33 |
12394 |
◊ |
A |
x,y,z |
1_555 |
111 |
28 |
11969 |
983.1 |
-13.3 |
0.577 |
3 |
3 |
0 |
0.205 |
3 |
|
C |
109 |
27 |
12394 |
◊ |
B |
x,y,z |
1_555 |
115 |
31 |
13265 |
980.2 |
-12.4 |
0.700 |
10 |
5 |
0 |
0.205 |
Average: |
987.7 |
-12.3 |
0.659 |
7 |
4 |
0 |
0.205 |
2 |
4 |
|
B |
59 |
11 |
13265 |
◊ |
B |
-x,-y,z |
2_555 |
59 |
11 |
13265 |
560.0 |
-8.9 |
0.478 |
8 |
0 |
0 |
0.048 |
3 |
5 |
|
C |
58 |
17 |
12394 |
◊ |
A |
-x,-y+1,z |
2_565 |
63 |
22 |
11969 |
557.0 |
-12.3 |
0.178 |
2 |
0 |
0 |
0.062 |
4 |
6 |
|
B |
49 |
17 |
13265 |
◊ |
C |
-x-1/2,y-1/2,-z |
3_445 |
42 |
17 |
12394 |
450.0 |
-7.1 |
0.293 |
2 |
0 |
0 |
0.061 |
5 |
7 |
|
[GM4]C:301 |
20 |
1 |
483 |
f |
C |
x,y,z |
1_555 |
59 |
23 |
12394 |
371.8 |
-3.7 |
0.627 |
1 |
0 |
0 |
0.065 |
8 |
|
[GM4]B:301 |
20 |
1 |
479 |
f |
B |
x,y,z |
1_555 |
56 |
23 |
13265 |
363.2 |
-3.9 |
0.648 |
1 |
0 |
0 |
0.065 |
Average: |
367.5 |
-3.8 |
0.637 |
1 |
0 |
0 |
0.065 |
6 |
9 |
|
B |
41 |
11 |
13265 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
39 |
13 |
11969 |
365.2 |
-8.8 |
0.191 |
0 |
0 |
0 |
0.041 |
7 |
10 |
|
[GM4]A:301 |
20 |
1 |
482 |
f |
A |
x,y,z |
1_555 |
59 |
21 |
11969 |
363.2 |
-3.7 |
0.631 |
1 |
0 |
0 |
0.027 |
8 |
11 |
|
C |
37 |
11 |
12394 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
38 |
9 |
13265 |
347.8 |
-7.8 |
0.239 |
2 |
0 |
0 |
0.067 |
9 |
12 |
|
C |
36 |
12 |
12394 |
◊ |
A |
x-1/2,-y+1/2,-z-1 |
4_454 |
33 |
9 |
11969 |
310.4 |
-3.3 |
0.667 |
3 |
0 |
0 |
0.031 |
10 |
13 |
|
C |
30 |
8 |
12394 |
◊ |
C |
-x-1,-y+1,z |
2_465 |
30 |
8 |
12394 |
235.4 |
-4.0 |
0.518 |
0 |
0 |
0 |
0.015 |
11 |
14 |
|
[OLC]A:311 |
10 |
1 |
318 |
◊ |
A |
x,y,z |
1_555 |
25 |
9 |
11969 |
188.0 |
-0.8 |
0.387 |
0 |
0 |
0 |
0.004 |
12 |
15 |
|
[OLC]A:310 |
9 |
1 |
296 |
f |
A |
x,y,z |
1_555 |
27 |
7 |
11969 |
180.8 |
-2.3 |
0.406 |
0 |
0 |
0 |
0.015 |
13 |
16 |
|
[OLC]C:307 |
11 |
1 |
346 |
f |
C |
x,y,z |
1_555 |
33 |
9 |
12394 |
179.2 |
0.9 |
0.568 |
3 |
0 |
0 |
0.007 |
14 |
17 |
|
[OLC]C:312 |
12 |
1 |
396 |
◊ |
A |
-x,-y+1,z |
2_565 |
28 |
7 |
11969 |
160.8 |
0.8 |
0.421 |
0 |
0 |
0 |
0.000 |
15 |
18 |
|
[OLC]C:311 |
10 |
1 |
316 |
◊ |
C |
x,y,z |
1_555 |
25 |
6 |
12394 |
155.3 |
-0.1 |
0.444 |
0 |
0 |
0 |
0.000 |
16 |
19 |
|
[OLC]B:308 |
9 |
1 |
320 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
13265 |
151.9 |
-0.1 |
0.463 |
0 |
0 |
0 |
0.001 |
17 |
20 |
|
[OLC]C:308 |
9 |
1 |
296 |
f |
C |
x,y,z |
1_555 |
18 |
7 |
12394 |
149.4 |
-3.2 |
0.324 |
3 |
0 |
0 |
0.062 |
18 |
21 |
|
[OLC]C:312 |
12 |
1 |
396 |
f |
C |
x,y,z |
1_555 |
19 |
6 |
12394 |
145.7 |
0.0 |
0.267 |
0 |
0 |
0 |
0.000 |
19 |
22 |
|
[OLC]B:309 |
8 |
1 |
292 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
13265 |
140.1 |
0.8 |
0.588 |
2 |
0 |
0 |
0.001 |
20 |
23 |
|
[GOL]C:305 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
18 |
9 |
12394 |
124.5 |
-0.7 |
0.640 |
3 |
0 |
0 |
0.028 |
21 |
24 |
|
[OLC]C:310 |
10 |
1 |
343 |
f |
C |
x,y,z |
1_555 |
16 |
5 |
12394 |
123.8 |
-2.6 |
0.270 |
2 |
0 |
0 |
0.048 |
22 |
25 |
|
[GOL]B:306 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
13265 |
122.7 |
-0.6 |
0.644 |
2 |
0 |
0 |
0.012 |
23 |
26 |
|
[GOL]A:309 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
11969 |
112.1 |
-1.7 |
0.467 |
0 |
0 |
0 |
0.011 |
24 |
27 |
|
[OLC]C:309 |
8 |
1 |
262 |
f |
C |
x,y,z |
1_555 |
21 |
6 |
12394 |
103.4 |
-1.9 |
0.495 |
2 |
0 |
0 |
0.038 |
25 |
28 |
|
[SO4]A:303 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
11969 |
87.4 |
-12.0 |
0.877 |
2 |
0 |
0 |
0.086 |
26 |
29 |
|
[SO4]C:304 |
5 |
1 |
185 |
f |
[SO4]C:304 |
-x,-y+1,z |
2_565 |
5 |
1 |
185 |
85.9 |
-18.2 |
0.993 |
0 |
0 |
0 |
0.125 |
27 |
30 |
|
[SO4]B:305 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
13265 |
84.2 |
-13.3 |
0.874 |
2 |
0 |
0 |
0.109 |
28 |
31 |
|
[OLC]C:309 |
6 |
1 |
262 |
◊ |
A |
-x,-y+1,z |
2_565 |
12 |
3 |
11969 |
83.6 |
2.1 |
0.739 |
0 |
0 |
0 |
0.000 |
29 |
32 |
|
[SO4]A:302 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
11969 |
82.8 |
-9.9 |
0.957 |
2 |
0 |
0 |
0.072 |
30 |
33 |
|
[SO4]A:307 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
11969 |
82.4 |
-12.5 |
0.773 |
1 |
0 |
0 |
0.086 |
31 |
34 |
|
[SO4]C:302 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
12394 |
79.9 |
-9.7 |
0.981 |
2 |
0 |
0 |
0.146 |
32 |
35 |
|
[SO4]B:304 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
13265 |
79.1 |
-11.1 |
0.759 |
2 |
0 |
0 |
0.092 |
33 |
36 |
|
[GOL]C:306 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
12394 |
78.7 |
-0.7 |
0.492 |
1 |
0 |
0 |
0.015 |
34 |
37 |
|
[OLC]B:307 |
8 |
1 |
315 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
13265 |
78.6 |
-2.2 |
0.314 |
0 |
0 |
0 |
0.017 |
35 |
38 |
|
[SO4]C:303 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
12394 |
74.7 |
-11.6 |
0.635 |
3 |
0 |
0 |
0.179 |
36 |
39 |
|
[OLC]B:308 |
8 |
1 |
320 |
f |
[OLC]B:307 |
x,y,z |
1_555 |
9 |
1 |
315 |
72.8 |
0.8 |
0.357 |
1 |
0 |
0 |
0.000 |
37 |
40 |
|
[OLC]C:310 |
7 |
1 |
343 |
◊ |
A |
-x,-y+1,z |
2_565 |
13 |
2 |
11969 |
63.9 |
1.6 |
0.544 |
0 |
0 |
0 |
0.000 |
38 |
41 |
|
[OLC]C:311 |
9 |
1 |
316 |
◊ |
[OLC]C:310 |
x,y,z |
1_555 |
8 |
1 |
343 |
62.7 |
3.2 |
0.403 |
0 |
0 |
0 |
0.000 |
39 |
42 |
|
[SO4]B:302 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
13265 |
62.6 |
-8.1 |
0.943 |
1 |
0 |
0 |
0.066 |
40 |
43 |
|
C |
12 |
6 |
12394 |
f |
[SO4]A:305 |
x-1/2,-y+1/2,-z-1 |
4_454 |
4 |
1 |
186 |
61.8 |
-8.8 |
0.766 |
1 |
0 |
0 |
0.127 |
41 |
44 |
|
[OLC]A:311 |
7 |
1 |
318 |
f |
C |
-x,-y+1,z |
2_565 |
7 |
2 |
12394 |
59.2 |
-2.5 |
0.281 |
1 |
0 |
0 |
0.040 |
42 |
45 |
|
[SO4]A:308 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
13265 |
58.9 |
-6.5 |
0.945 |
1 |
0 |
0 |
0.030 |
43 |
46 |
|
[SO4]A:305 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
11969 |
57.3 |
-6.3 |
0.958 |
3 |
0 |
0 |
0.051 |
44 |
47 |
|
[SO4]A:308 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
11969 |
56.8 |
-6.7 |
0.938 |
2 |
0 |
0 |
0.050 |
45 |
48 |
|
[SO4]A:308 |
5 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
12394 |
56.4 |
-6.4 |
0.941 |
1 |
0 |
0 |
0.029 |
46 |
49 |
|
[SO4]B:303 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
13265 |
56.1 |
-5.8 |
0.966 |
3 |
0 |
0 |
0.055 |
47 |
50 |
|
[SO4]A:304 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
11969 |
50.2 |
-5.2 |
0.952 |
2 |
0 |
0 |
0.041 |
48 |
51 |
|
[SO4]A:306 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
11969 |
50.0 |
-5.3 |
0.966 |
1 |
0 |
0 |
0.038 |
49 |
52 |
|
[GOL]C:306 |
6 |
1 |
218 |
f |
[GOL]C:305 |
x,y,z |
1_555 |
4 |
1 |
218 |
46.6 |
-0.5 |
0.529 |
1 |
0 |
0 |
0.012 |
50 |
53 |
|
[OLC]C:310 |
8 |
1 |
343 |
f |
[OLC]C:309 |
x,y,z |
1_555 |
5 |
1 |
262 |
44.1 |
0.7 |
0.387 |
0 |
0 |
0 |
0.000 |
51 |
54 |
|
[OLC]C:311 |
5 |
1 |
316 |
f |
A |
-x,-y+1,z |
2_565 |
3 |
1 |
11969 |
39.9 |
-1.3 |
0.200 |
0 |
0 |
0 |
0.009 |
52 |
55 |
|
[SO4]C:304 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
12394 |
38.9 |
-3.3 |
0.984 |
1 |
0 |
0 |
0.052 |
53 |
56 |
|
[SO4]C:304 |
4 |
1 |
185 |
◊ |
C |
-x,-y+1,z |
2_565 |
5 |
3 |
12394 |
37.9 |
-3.0 |
0.985 |
1 |
0 |
0 |
0.048 |
54 |
57 |
|
B |
3 |
1 |
13265 |
◊ |
A |
-x+1/2,y-1/2,-z |
3_545 |
3 |
1 |
11969 |
25.0 |
-0.0 |
0.545 |
0 |
0 |
0 |
0.000 |
55 |
58 |
|
B |
1 |
1 |
13265 |
◊ |
[OLC]C:309 |
-x-1/2,y-1/2,-z |
3_445 |
2 |
1 |
262 |
23.4 |
-0.1 |
0.607 |
1 |
0 |
0 |
0.004 |
56 |
59 |
|
[OLC]B:309 |
4 |
1 |
292 |
f |
[OLC]B:308 |
x,y,z |
1_555 |
2 |
1 |
320 |
20.8 |
0.1 |
0.412 |
0 |
0 |
0 |
0.000 |
57 |
60 |
|
[OLC]C:310 |
2 |
1 |
343 |
f |
[OLC]C:308 |
x,y,z |
1_555 |
3 |
1 |
296 |
17.1 |
-0.3 |
0.375 |
0 |
0 |
0 |
0.004 |
58 |
61 |
|
[SO4]A:307 |
1 |
1 |
185 |
◊ |
C |
-x,-y+1,z |
2_565 |
1 |
1 |
12394 |
10.3 |
-1.4 |
0.435 |
0 |
0 |
0 |
0.006 |
59 |
62 |
|
[SO4]C:302 |
1 |
1 |
185 |
◊ |
C |
-x,-y+1,z |
2_565 |
2 |
1 |
12394 |
7.8 |
-1.1 |
0.613 |
0 |
0 |
0 |
0.015 |
60 |
63 |
|
[OLC]C:307 |
1 |
1 |
346 |
f |
[SO4]C:303 |
x,y,z |
1_555 |
1 |
1 |
184 |
2.9 |
-0.5 |
0.522 |
0 |
0 |
0 |
0.007 |
61 |
64 |
|
[GOL]C:305 |
1 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
11969 |
1.6 |
-0.0 |
0.499 |
0 |
0 |
0 |
0.000 |
62 |
65 |
|
[GOL]A:309 |
1 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
13265 |
0.7 |
0.0 |
0.610 |
0 |
0 |
0 |
0.000 |
|