## |
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 |
169 |
43 |
10357 |
◊ |
A |
x,y,z |
1_555 |
170 |
42 |
10641 |
1629.4 |
-28.7 |
0.014 |
12 |
2 |
0 |
1.000 |
2 |
|
C |
165 |
42 |
10486 |
◊ |
D |
x-1/2,-y+5/2,-z |
4_475 |
166 |
42 |
10547 |
1618.1 |
-28.1 |
0.009 |
12 |
2 |
0 |
1.000 |
Average: |
1623.8 |
-28.4 |
0.011 |
12 |
2 |
0 |
1.000 |
2 |
3 |
|
A |
45 |
12 |
10641 |
◊ |
C |
x,y-1,z |
1_545 |
44 |
12 |
10486 |
418.8 |
-3.1 |
0.456 |
0 |
0 |
0 |
0.000 |
4 |
|
B |
37 |
10 |
10357 |
◊ |
D |
x-1/2,-y+3/2,-z |
4_465 |
31 |
8 |
10547 |
343.0 |
-2.4 |
0.522 |
2 |
0 |
0 |
0.000 |
Average: |
380.9 |
-2.8 |
0.489 |
1 |
0 |
0 |
0.000 |
3 |
5 |
|
[OS6]B:305 |
26 |
1 |
704 |
◊ |
B |
x,y,z |
1_555 |
49 |
21 |
10357 |
335.4 |
2.2 |
0.516 |
3 |
0 |
0 |
0.000 |
6 |
|
[OS6]D:302 |
24 |
1 |
725 |
◊ |
D |
x,y,z |
1_555 |
49 |
21 |
10547 |
329.3 |
2.8 |
0.573 |
3 |
0 |
0 |
0.000 |
7 |
|
[OS6]A:303 |
25 |
1 |
729 |
◊ |
A |
x,y,z |
1_555 |
48 |
20 |
10641 |
328.0 |
2.5 |
0.536 |
3 |
0 |
0 |
0.000 |
Average: |
330.9 |
2.5 |
0.542 |
3 |
0 |
0 |
0.000 |
4 |
8 |
|
[OS6]C:303 |
24 |
1 |
722 |
◊ |
C |
x,y,z |
1_555 |
47 |
21 |
10486 |
329.1 |
2.7 |
0.558 |
3 |
0 |
0 |
0.000 |
5 |
9 |
|
A |
39 |
13 |
10641 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
36 |
8 |
10486 |
299.8 |
-3.4 |
0.292 |
1 |
0 |
0 |
0.000 |
10 |
|
D |
31 |
7 |
10547 |
◊ |
B |
x,y,z |
1_555 |
33 |
11 |
10357 |
266.1 |
-3.6 |
0.248 |
1 |
0 |
0 |
0.000 |
Average: |
282.9 |
-3.5 |
0.270 |
1 |
0 |
0 |
0.000 |
6 |
11 |
|
C |
31 |
10 |
10486 |
◊ |
B |
x,y,z |
1_555 |
38 |
12 |
10357 |
275.8 |
-0.5 |
0.699 |
3 |
1 |
0 |
0.000 |
12 |
|
D |
30 |
10 |
10547 |
◊ |
A |
x-1/2,-y+3/2,-z |
4_465 |
29 |
9 |
10641 |
231.0 |
-0.0 |
0.735 |
2 |
2 |
0 |
0.000 |
Average: |
253.4 |
-0.3 |
0.717 |
3 |
2 |
0 |
0.000 |
7 |
13 |
|
[OS6]A:303 |
15 |
1 |
729 |
f |
B |
x,y,z |
1_555 |
20 |
5 |
10357 |
159.7 |
-2.4 |
0.147 |
1 |
0 |
0 |
0.152 |
14 |
|
[OS6]B:305 |
11 |
1 |
704 |
f |
A |
x,y,z |
1_555 |
19 |
5 |
10641 |
141.3 |
-1.8 |
0.175 |
0 |
0 |
0 |
0.152 |
15 |
|
[OS6]C:303 |
13 |
1 |
722 |
f |
D |
x-1/2,-y+5/2,-z |
4_475 |
15 |
4 |
10547 |
119.5 |
-1.5 |
0.157 |
1 |
0 |
0 |
0.152 |
16 |
|
C |
14 |
4 |
10486 |
f |
[OS6]D:302 |
x-1/2,-y+5/2,-z |
4_475 |
13 |
1 |
725 |
117.6 |
-1.7 |
0.133 |
1 |
0 |
0 |
0.152 |
Average: |
134.5 |
-1.8 |
0.153 |
1 |
0 |
0 |
0.152 |
8 |
17 |
|
D |
16 |
4 |
10547 |
◊ |
A |
-x+1/2,-y+2,z-1/2 |
2_574 |
21 |
7 |
10641 |
153.0 |
-1.1 |
0.461 |
1 |
0 |
0 |
0.000 |
18 |
|
C |
17 |
4 |
10486 |
◊ |
B |
x-1/2,-y+5/2,-z |
4_475 |
19 |
7 |
10357 |
148.3 |
-0.9 |
0.477 |
1 |
1 |
0 |
0.000 |
Average: |
150.6 |
-1.0 |
0.469 |
1 |
1 |
0 |
0.000 |
9 |
19 |
|
D |
14 |
4 |
10547 |
◊ |
B |
x-1/2,-y+5/2,-z |
4_475 |
17 |
4 |
10357 |
145.6 |
-0.2 |
0.669 |
1 |
3 |
0 |
0.000 |
20 |
|
C |
9 |
3 |
10486 |
◊ |
A |
x-1,y,z |
1_455 |
13 |
4 |
10641 |
113.2 |
0.8 |
0.793 |
2 |
3 |
0 |
0.000 |
Average: |
129.4 |
0.3 |
0.731 |
2 |
3 |
0 |
0.000 |
10 |
21 |
|
[EDO]C:301 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
19 |
6 |
10486 |
114.9 |
3.5 |
0.478 |
5 |
0 |
0 |
0.000 |
11 |
22 |
|
[EDO]D:301 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
18 |
5 |
10547 |
112.6 |
3.5 |
0.482 |
5 |
0 |
0 |
0.000 |
12 |
23 |
|
B |
14 |
4 |
10357 |
x |
B |
x-1/2,-y+5/2,-z |
4_475 |
12 |
4 |
10357 |
97.6 |
-0.5 |
0.592 |
1 |
2 |
0 |
0.000 |
24 |
|
A |
13 |
4 |
10641 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
11 |
4 |
10641 |
93.7 |
-0.0 |
0.664 |
1 |
2 |
0 |
0.000 |
Average: |
95.7 |
-0.3 |
0.628 |
1 |
2 |
0 |
0.000 |
13 |
25 |
|
[EDO]C:302 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
15 |
6 |
10486 |
97.4 |
2.4 |
0.424 |
0 |
0 |
0 |
0.000 |
14 |
26 |
|
D |
7 |
2 |
10547 |
◊ |
B |
x-1/2,-y+3/2,-z |
4_465 |
15 |
6 |
10357 |
90.2 |
-0.4 |
0.618 |
0 |
0 |
0 |
0.000 |
27 |
|
C |
8 |
3 |
10486 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
10641 |
86.1 |
-0.9 |
0.519 |
0 |
0 |
0 |
0.000 |
Average: |
88.2 |
-0.6 |
0.569 |
0 |
0 |
0 |
0.000 |
15 |
28 |
|
D |
16 |
4 |
10547 |
◊ |
[OS6]A:303 |
x-1/2,-y+3/2,-z |
4_465 |
9 |
1 |
729 |
88.8 |
-0.5 |
0.377 |
0 |
0 |
0 |
0.000 |
29 |
|
[OS6]B:305 |
7 |
1 |
704 |
◊ |
C |
x,y,z |
1_555 |
13 |
4 |
10486 |
77.2 |
-1.2 |
0.281 |
0 |
0 |
0 |
0.000 |
Average: |
83.0 |
-0.8 |
0.329 |
0 |
0 |
0 |
0.000 |
16 |
30 |
|
[EDO]B:303 |
3 |
1 |
184 |
◊ |
B |
x-1/2,-y+5/2,-z |
4_475 |
10 |
3 |
10357 |
69.9 |
2.7 |
0.331 |
1 |
0 |
0 |
0.000 |
17 |
31 |
|
[EDO]B:301 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
10357 |
56.5 |
0.9 |
0.821 |
5 |
0 |
0 |
0.028 |
18 |
32 |
|
[EDO]B:303 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
10357 |
56.3 |
1.4 |
0.727 |
0 |
0 |
0 |
0.000 |
19 |
33 |
|
[EDO]A:301 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
10641 |
56.3 |
0.9 |
0.813 |
4 |
0 |
0 |
0.018 |
20 |
34 |
|
[EDO]B:302 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
10641 |
55.5 |
1.4 |
0.752 |
0 |
0 |
0 |
0.000 |
21 |
35 |
|
[EDO]B:302 |
2 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
10357 |
55.3 |
1.3 |
0.542 |
1 |
0 |
0 |
0.000 |
22 |
36 |
|
D |
6 |
2 |
10547 |
x |
D |
x-1/2,-y+3/2,-z |
4_465 |
6 |
2 |
10547 |
50.1 |
-0.0 |
0.588 |
0 |
1 |
0 |
0.000 |
37 |
|
C |
8 |
3 |
10486 |
x |
C |
-x,y-1/2,-z+1/2 |
3_545 |
5 |
2 |
10486 |
46.6 |
0.9 |
0.823 |
1 |
1 |
0 |
0.000 |
Average: |
48.3 |
0.4 |
0.705 |
1 |
1 |
0 |
0.000 |
23 |
38 |
|
[EDO]A:301 |
3 |
1 |
184 |
◊ |
[OS6]C:303 |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
1 |
722 |
48.7 |
1.2 |
0.183 |
0 |
0 |
0 |
0.000 |
24 |
39 |
|
[MG]B:304 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
10357 |
41.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.192 |
40 |
|
A |
8 |
3 |
10641 |
f |
[MG]A:302 |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
98 |
39.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.192 |
Average: |
40.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.192 |
25 |
41 |
|
[OS6]D:302 |
8 |
1 |
725 |
◊ |
[EDO]B:301 |
x,y,z |
1_555 |
3 |
1 |
184 |
41.8 |
1.3 |
0.186 |
0 |
0 |
0 |
0.000 |
26 |
42 |
|
A |
6 |
3 |
10641 |
◊ |
[OS6]C:303 |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
722 |
41.6 |
-0.9 |
0.259 |
0 |
0 |
0 |
0.000 |
43 |
|
[OS6]D:302 |
2 |
1 |
725 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
10357 |
29.5 |
-0.6 |
0.333 |
0 |
0 |
0 |
0.000 |
Average: |
35.5 |
-0.8 |
0.296 |
0 |
0 |
0 |
0.000 |
27 |
44 |
|
[EDO]C:302 |
3 |
1 |
184 |
f |
A |
x-1,y,z |
1_455 |
3 |
2 |
10641 |
40.2 |
0.9 |
0.597 |
0 |
0 |
0 |
0.000 |
28 |
45 |
|
[EDO]B:301 |
3 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
10547 |
34.5 |
1.1 |
0.935 |
1 |
0 |
0 |
0.000 |
29 |
46 |
|
C |
7 |
2 |
10486 |
◊ |
[EDO]B:301 |
x-1/2,-y+5/2,-z |
4_475 |
3 |
1 |
184 |
34.1 |
0.9 |
0.680 |
0 |
0 |
0 |
0.000 |
30 |
47 |
|
[EDO]A:301 |
3 |
1 |
184 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
10486 |
33.7 |
1.1 |
0.931 |
1 |
0 |
0 |
0.000 |
31 |
48 |
|
D |
7 |
2 |
10547 |
◊ |
[EDO]A:301 |
-x+1/2,-y+2,z-1/2 |
2_574 |
3 |
1 |
184 |
32.2 |
0.7 |
0.693 |
0 |
0 |
0 |
0.000 |
32 |
49 |
|
[EDO]B:302 |
2 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
10486 |
24.6 |
-0.0 |
0.449 |
0 |
0 |
0 |
0.002 |
33 |
50 |
|
[MG]B:304 |
1 |
1 |
98 |
◊ |
B |
x-1/2,-y+5/2,-z |
4_475 |
4 |
1 |
10357 |
19.9 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.000 |
51 |
|
[MG]A:302 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
10641 |
18.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
18.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
34 |
52 |
|
C |
1 |
1 |
10486 |
f |
[EDO]D:301 |
x-1/2,-y+5/2,-z |
4_475 |
2 |
1 |
185 |
17.2 |
0.8 |
0.939 |
0 |
0 |
0 |
0.000 |
35 |
53 |
|
C |
3 |
1 |
10486 |
◊ |
[MG]A:302 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
15.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
54 |
|
[MG]B:304 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
10547 |
13.1 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
14.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
55 |
|
[EDO]C:301 |
2 |
1 |
185 |
f |
D |
x-1/2,-y+5/2,-z |
4_475 |
1 |
1 |
10547 |
15.1 |
0.7 |
0.936 |
0 |
0 |
0 |
0.000 |
|