## |
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 |
77 |
26 |
13173 |
◊ |
A |
x,y,z |
1_555 |
83 |
25 |
13247 |
685.8 |
-5.1 |
0.798 |
9 |
0 |
0 |
0.000 |
2 |
|
D |
69 |
24 |
13150 |
◊ |
B |
x,y,z |
1_555 |
80 |
25 |
13284 |
678.0 |
-5.3 |
0.734 |
8 |
0 |
0 |
0.000 |
Average: |
681.9 |
-5.2 |
0.766 |
9 |
0 |
0 |
0.000 |
2 |
3 |
|
C |
46 |
13 |
13173 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
44 |
11 |
13150 |
419.8 |
1.0 |
0.946 |
8 |
0 |
0 |
0.000 |
3 |
4 |
|
[C8E]C:304 |
17 |
1 |
597 |
f |
C |
x,y,z |
1_555 |
46 |
17 |
13173 |
299.1 |
2.0 |
0.374 |
0 |
0 |
0 |
0.000 |
4 |
5 |
|
[C8E]C:302 |
14 |
1 |
450 |
f |
C |
x,y,z |
1_555 |
47 |
17 |
13173 |
299.1 |
-2.4 |
0.444 |
0 |
0 |
0 |
0.000 |
5 |
6 |
|
[C8E]B:302 |
16 |
1 |
625 |
f |
B |
x,y,z |
1_555 |
46 |
17 |
13284 |
292.9 |
0.5 |
0.442 |
2 |
0 |
0 |
0.003 |
6 |
7 |
|
A |
28 |
10 |
13247 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
28 |
9 |
13173 |
272.0 |
-2.4 |
0.619 |
3 |
0 |
0 |
0.000 |
8 |
|
B |
32 |
11 |
13284 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
26 |
8 |
13150 |
261.2 |
-2.3 |
0.651 |
3 |
0 |
0 |
0.000 |
Average: |
266.6 |
-2.4 |
0.635 |
3 |
0 |
0 |
0.000 |
7 |
9 |
|
[C8E]D:305 |
12 |
1 |
412 |
f |
D |
x,y,z |
1_555 |
39 |
15 |
13150 |
271.4 |
5.8 |
0.270 |
1 |
0 |
0 |
0.000 |
8 |
10 |
|
[C8E]C:301 |
14 |
1 |
495 |
f |
C |
x,y,z |
1_555 |
40 |
13 |
13173 |
255.4 |
3.3 |
0.243 |
1 |
0 |
0 |
0.000 |
9 |
11 |
|
[C8E]C:305 |
12 |
1 |
498 |
f |
C |
x,y,z |
1_555 |
41 |
14 |
13173 |
251.8 |
-0.3 |
0.298 |
0 |
0 |
0 |
0.000 |
10 |
12 |
|
[C8E]C:303 |
11 |
1 |
392 |
f |
C |
x,y,z |
1_555 |
34 |
15 |
13173 |
245.8 |
5.9 |
0.394 |
0 |
0 |
0 |
0.000 |
11 |
13 |
|
D |
30 |
8 |
13150 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
27 |
8 |
13284 |
240.0 |
-1.2 |
0.766 |
3 |
0 |
0 |
0.000 |
14 |
|
C |
29 |
8 |
13173 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
32 |
8 |
13247 |
237.0 |
-1.6 |
0.769 |
2 |
0 |
0 |
0.000 |
Average: |
238.5 |
-1.4 |
0.767 |
3 |
0 |
0 |
0.000 |
12 |
15 |
|
[C8E]A:303 |
9 |
1 |
336 |
f |
A |
x,y,z |
1_555 |
32 |
14 |
13247 |
232.1 |
2.5 |
0.496 |
0 |
0 |
0 |
0.000 |
13 |
16 |
|
[C8E]B:303 |
14 |
1 |
553 |
f |
B |
x,y,z |
1_555 |
33 |
11 |
13284 |
229.9 |
-4.2 |
0.285 |
0 |
0 |
0 |
0.054 |
17 |
|
[C8E]A:307 |
13 |
1 |
512 |
f |
A |
x,y,z |
1_555 |
30 |
12 |
13247 |
220.0 |
-1.8 |
0.370 |
0 |
0 |
0 |
0.054 |
Average: |
225.0 |
-3.0 |
0.327 |
0 |
0 |
0 |
0.054 |
14 |
18 |
|
[C8E]B:301 |
10 |
1 |
333 |
f |
B |
x,y,z |
1_555 |
32 |
14 |
13284 |
221.6 |
-5.2 |
0.575 |
2 |
0 |
0 |
0.054 |
15 |
19 |
|
[C8E]D:307 |
11 |
1 |
362 |
f |
D |
x,y,z |
1_555 |
31 |
13 |
13150 |
220.4 |
-4.0 |
0.764 |
2 |
0 |
0 |
0.000 |
16 |
20 |
|
B |
20 |
8 |
13284 |
◊ |
A |
x,y,z |
1_555 |
20 |
8 |
13247 |
212.3 |
-4.6 |
0.184 |
0 |
0 |
0 |
0.000 |
17 |
21 |
|
[C8E]D:306 |
13 |
1 |
585 |
◊ |
D |
x,y,z |
1_555 |
30 |
10 |
13150 |
212.0 |
3.9 |
0.560 |
0 |
0 |
0 |
0.000 |
18 |
22 |
|
[C8E]D:301 |
11 |
1 |
400 |
f |
D |
x,y,z |
1_555 |
30 |
13 |
13150 |
203.3 |
4.1 |
0.221 |
1 |
0 |
0 |
0.000 |
19 |
23 |
|
[C8E]B:305 |
12 |
1 |
440 |
◊ |
B |
x,y,z |
1_555 |
29 |
11 |
13284 |
198.3 |
5.0 |
0.417 |
0 |
0 |
0 |
0.000 |
20 |
24 |
|
C |
20 |
8 |
13173 |
◊ |
B |
x,y,z |
1_555 |
21 |
7 |
13284 |
196.9 |
-1.4 |
0.561 |
3 |
2 |
0 |
0.000 |
25 |
|
D |
19 |
7 |
13150 |
◊ |
A |
x,y,z |
1_555 |
19 |
6 |
13247 |
190.1 |
-1.8 |
0.455 |
4 |
1 |
0 |
0.000 |
Average: |
193.5 |
-1.6 |
0.508 |
4 |
2 |
0 |
0.000 |
21 |
26 |
|
[C8E]D:303 |
10 |
1 |
371 |
f |
D |
x,y,z |
1_555 |
26 |
10 |
13150 |
195.5 |
4.0 |
0.252 |
0 |
0 |
0 |
0.000 |
22 |
27 |
|
[C8E]A:308 |
10 |
1 |
387 |
◊ |
A |
x,y,z |
1_555 |
34 |
14 |
13247 |
192.5 |
1.9 |
0.364 |
0 |
0 |
0 |
0.000 |
23 |
28 |
|
[C8E]A:304 |
13 |
1 |
402 |
f |
A |
x,y,z |
1_555 |
26 |
11 |
13247 |
189.5 |
-3.5 |
0.485 |
0 |
0 |
0 |
0.103 |
24 |
29 |
|
[C8E]B:304 |
9 |
1 |
419 |
◊ |
B |
x,y,z |
1_555 |
27 |
10 |
13284 |
179.3 |
4.2 |
0.220 |
0 |
0 |
0 |
0.000 |
25 |
30 |
|
[C8E]A:309 |
10 |
1 |
371 |
◊ |
C |
x,y,z |
1_555 |
30 |
12 |
13173 |
173.3 |
4.5 |
0.015 |
0 |
0 |
0 |
0.000 |
26 |
31 |
|
[C8E]B:305 |
10 |
1 |
440 |
f |
D |
x,y,z |
1_555 |
26 |
8 |
13150 |
154.6 |
0.2 |
0.145 |
0 |
0 |
0 |
0.000 |
27 |
32 |
|
[C8E]A:310 |
10 |
1 |
391 |
◊ |
C |
x,y,z |
1_555 |
14 |
7 |
13173 |
142.3 |
2.8 |
0.077 |
0 |
0 |
0 |
0.000 |
28 |
33 |
|
[C8E]A:306 |
10 |
1 |
359 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
13247 |
137.1 |
-0.2 |
0.440 |
0 |
0 |
0 |
0.006 |
29 |
34 |
|
[C8E]D:304 |
6 |
1 |
242 |
f |
D |
x,y,z |
1_555 |
21 |
8 |
13150 |
131.6 |
-1.1 |
0.479 |
0 |
0 |
0 |
0.000 |
30 |
35 |
|
[C8E]A:304 |
8 |
1 |
402 |
◊ |
C |
x,y,z |
1_555 |
24 |
8 |
13173 |
130.7 |
-2.9 |
0.539 |
0 |
0 |
0 |
0.000 |
31 |
36 |
|
[C8E]A:309 |
10 |
1 |
371 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
13247 |
129.0 |
3.2 |
0.001 |
0 |
0 |
0 |
0.000 |
32 |
37 |
|
[C8E]A:301 |
8 |
1 |
287 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
13247 |
125.0 |
-2.4 |
0.758 |
0 |
0 |
0 |
0.000 |
33 |
38 |
|
[C8E]A:305 |
5 |
1 |
240 |
◊ |
A |
x,y,z |
1_555 |
22 |
8 |
13247 |
119.5 |
4.1 |
0.228 |
0 |
0 |
0 |
0.000 |
34 |
39 |
|
[C8E]D:302 |
5 |
1 |
240 |
◊ |
D |
x,y,z |
1_555 |
17 |
9 |
13150 |
100.9 |
3.0 |
0.681 |
0 |
0 |
0 |
0.000 |
35 |
40 |
|
[C8E]D:306 |
7 |
1 |
585 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
13284 |
98.3 |
-3.1 |
0.171 |
0 |
0 |
0 |
0.028 |
36 |
41 |
|
[C8E]C:306 |
5 |
1 |
403 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
13173 |
97.6 |
3.6 |
0.422 |
0 |
0 |
0 |
0.000 |
37 |
42 |
|
[C8E]D:302 |
5 |
1 |
240 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
13284 |
92.6 |
2.6 |
0.543 |
0 |
0 |
0 |
0.000 |
38 |
43 |
|
[C8E]A:301 |
8 |
1 |
287 |
f |
D |
x,y,z |
1_555 |
15 |
4 |
13150 |
89.2 |
-2.7 |
0.567 |
0 |
0 |
0 |
0.000 |
39 |
44 |
|
[C8E]A:310 |
7 |
1 |
391 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
13284 |
88.3 |
-0.1 |
0.047 |
0 |
0 |
0 |
0.000 |
40 |
45 |
|
[C8E]B:302 |
7 |
1 |
625 |
◊ |
C |
x,y,z |
1_555 |
14 |
4 |
13173 |
88.2 |
2.2 |
0.482 |
0 |
0 |
0 |
0.000 |
41 |
46 |
|
[C8E]A:307 |
6 |
1 |
512 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
14 |
7 |
13173 |
84.9 |
2.5 |
0.745 |
0 |
0 |
0 |
0.000 |
42 |
47 |
|
[C8E]B:303 |
4 |
1 |
553 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
14 |
7 |
13150 |
78.3 |
2.6 |
0.806 |
0 |
0 |
0 |
0.000 |
43 |
48 |
|
[C8E]A:302 |
5 |
1 |
223 |
◊ |
D |
x,y,z |
1_555 |
13 |
5 |
13150 |
78.2 |
1.8 |
0.012 |
0 |
0 |
0 |
0.000 |
44 |
49 |
|
[C8E]A:302 |
5 |
1 |
223 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
13247 |
74.6 |
1.2 |
0.685 |
0 |
0 |
0 |
0.000 |
45 |
50 |
|
[PO4]A:311 |
4 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
13247 |
70.2 |
-4.2 |
0.792 |
2 |
0 |
0 |
0.150 |
46 |
51 |
|
A |
6 |
4 |
13247 |
◊ |
[C8E]C:306 |
x-1/2,-y+1/2,-z |
4_455 |
7 |
1 |
403 |
70.0 |
0.6 |
0.030 |
0 |
0 |
0 |
0.000 |
47 |
52 |
|
[C8E]A:310 |
6 |
1 |
391 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
13247 |
66.4 |
2.3 |
0.190 |
0 |
0 |
0 |
0.000 |
48 |
53 |
|
B |
10 |
4 |
13284 |
◊ |
[PO4]A:311 |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
1 |
188 |
65.9 |
-4.2 |
0.800 |
2 |
0 |
0 |
0.000 |
49 |
54 |
|
B |
5 |
2 |
13284 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
5 |
2 |
13247 |
63.6 |
-0.6 |
0.498 |
0 |
0 |
0 |
0.000 |
50 |
55 |
|
[C8E]B:304 |
4 |
1 |
419 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
13247 |
56.9 |
0.5 |
0.147 |
0 |
0 |
0 |
0.000 |
51 |
56 |
|
[C8E]A:305 |
3 |
1 |
240 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
13173 |
53.0 |
0.8 |
0.433 |
0 |
0 |
0 |
0.000 |
52 |
57 |
|
[C8E]A:307 |
6 |
1 |
512 |
◊ |
[C8E]C:306 |
x-1/2,-y+1/2,-z |
4_455 |
6 |
1 |
403 |
52.3 |
1.5 |
0.074 |
0 |
0 |
0 |
0.000 |
53 |
58 |
|
[C8E]A:306 |
5 |
1 |
359 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
13173 |
52.0 |
0.5 |
0.547 |
0 |
0 |
0 |
0.000 |
54 |
59 |
|
[C8E]B:304 |
4 |
1 |
419 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
13150 |
50.6 |
0.8 |
0.150 |
0 |
0 |
0 |
0.000 |
55 |
60 |
|
[C8E]C:306 |
4 |
1 |
403 |
f |
D |
-x+1/2,-y,z-1/2 |
2_554 |
6 |
3 |
13150 |
46.5 |
0.3 |
0.118 |
0 |
0 |
0 |
0.000 |
56 |
61 |
|
[C8E]C:305 |
6 |
1 |
498 |
f |
[C8E]C:304 |
x,y,z |
1_555 |
3 |
1 |
597 |
46.2 |
0.4 |
0.240 |
0 |
0 |
0 |
0.000 |
57 |
62 |
|
[C8E]D:306 |
3 |
1 |
585 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
13247 |
30.8 |
-0.1 |
0.222 |
0 |
0 |
0 |
0.000 |
58 |
63 |
|
B |
3 |
3 |
13284 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
6 |
3 |
13173 |
25.6 |
0.9 |
0.909 |
0 |
0 |
0 |
0.000 |
64 |
|
D |
4 |
2 |
13150 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
13247 |
6.2 |
0.3 |
0.834 |
0 |
0 |
0 |
0.000 |
Average: |
15.9 |
0.6 |
0.872 |
0 |
0 |
0 |
0.000 |
59 |
65 |
|
[C8E]A:305 |
1 |
1 |
240 |
◊ |
[C8E]A:310 |
x,y,z |
1_555 |
4 |
1 |
391 |
24.5 |
1.6 |
0.189 |
0 |
0 |
0 |
0.000 |
60 |
66 |
|
[C8E]D:304 |
2 |
1 |
242 |
f |
[C8E]D:301 |
x,y,z |
1_555 |
2 |
1 |
400 |
15.3 |
0.9 |
0.333 |
0 |
0 |
0 |
0.000 |
61 |
67 |
|
[C8E]C:304 |
1 |
1 |
597 |
f |
[C8E]C:301 |
x,y,z |
1_555 |
1 |
1 |
495 |
10.4 |
0.2 |
0.275 |
0 |
0 |
0 |
0.000 |
62 |
68 |
|
C |
1 |
1 |
13173 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
13150 |
9.3 |
-0.3 |
0.225 |
0 |
0 |
0 |
0.000 |
63 |
69 |
|
[C8E]A:308 |
2 |
1 |
387 |
f |
[C8E]A:301 |
x,y,z |
1_555 |
1 |
1 |
287 |
8.0 |
-0.2 |
0.424 |
0 |
0 |
0 |
0.000 |
64 |
70 |
|
[C8E]A:309 |
1 |
1 |
371 |
f |
[C8E]A:304 |
x,y,z |
1_555 |
1 |
1 |
402 |
7.4 |
-0.2 |
0.248 |
0 |
0 |
0 |
0.006 |
65 |
71 |
|
[C8E]A:308 |
1 |
1 |
387 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
13150 |
5.7 |
0.1 |
0.342 |
0 |
0 |
0 |
0.000 |
|