## |
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 |
120 |
32 |
13393 |
◊ |
A |
x,y,z |
1_555 |
128 |
34 |
12757 |
1225.9 |
-11.0 |
0.206 |
17 |
10 |
0 |
1.000 |
2 |
2 |
|
B |
63 |
21 |
13393 |
◊ |
B |
-x+1,y,-z+2 |
2_657 |
63 |
21 |
13393 |
548.4 |
-1.0 |
0.657 |
4 |
8 |
0 |
0.000 |
3 |
3 |
|
[A3P]A:502 |
27 |
1 |
577 |
f |
A |
x,y,z |
1_555 |
63 |
24 |
12757 |
424.6 |
-4.5 |
0.503 |
17 |
0 |
0 |
1.000 |
4 |
|
[A3P]B:502 |
27 |
1 |
575 |
f |
B |
x,y,z |
1_555 |
68 |
26 |
13393 |
420.8 |
-4.2 |
0.556 |
18 |
0 |
0 |
1.000 |
Average: |
422.7 |
-4.4 |
0.529 |
18 |
0 |
0 |
1.000 |
4 |
5 |
|
A |
28 |
15 |
12757 |
x |
A |
-x+3/2,y-1/2,-z+2 |
4_647 |
38 |
12 |
12757 |
293.6 |
1.7 |
0.741 |
6 |
5 |
0 |
0.000 |
5 |
6 |
|
[SGN]E:4 |
18 |
1 |
437 |
f |
B |
x,y,z |
1_555 |
25 |
11 |
13393 |
211.6 |
4.2 |
0.457 |
4 |
0 |
0 |
0.000 |
6 |
7 |
|
B |
17 |
5 |
13393 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
24 |
11 |
12757 |
199.1 |
3.0 |
0.873 |
4 |
2 |
0 |
0.000 |
7 |
8 |
|
[SGN]D:2 |
15 |
1 |
432 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
12757 |
181.2 |
2.0 |
0.359 |
4 |
0 |
0 |
0.000 |
8 |
9 |
|
[IDS]E:5 |
14 |
1 |
366 |
f |
B |
x,y,z |
1_555 |
25 |
9 |
13393 |
168.4 |
0.8 |
0.441 |
7 |
0 |
0 |
0.128 |
9 |
10 |
|
[SGN]E:6 |
16 |
1 |
431 |
f |
B |
x,y,z |
1_555 |
24 |
10 |
13393 |
164.6 |
1.1 |
0.248 |
2 |
0 |
0 |
0.000 |
10 |
11 |
|
[SGN]E:2 |
16 |
1 |
433 |
f |
B |
x,y,z |
1_555 |
19 |
10 |
13393 |
161.0 |
2.3 |
0.344 |
5 |
0 |
0 |
0.000 |
11 |
12 |
|
[NGY]E:8 |
14 |
1 |
433 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
13393 |
158.0 |
4.6 |
0.680 |
4 |
0 |
0 |
0.000 |
12 |
13 |
|
B |
20 |
8 |
13393 |
◊ |
A |
-x+1,y,-z+2 |
2_657 |
13 |
2 |
12757 |
148.5 |
-0.3 |
0.567 |
2 |
0 |
0 |
0.000 |
13 |
14 |
|
[NPO]A:501 |
10 |
1 |
274 |
◊ |
A |
-x+3/2,y-1/2,-z+2 |
4_647 |
23 |
7 |
12757 |
145.6 |
3.0 |
0.206 |
1 |
0 |
0 |
0.000 |
14 |
15 |
|
B |
18 |
9 |
13393 |
◊ |
A |
-x+3/2,y-1/2,-z+2 |
4_647 |
16 |
9 |
12757 |
143.8 |
-0.0 |
0.621 |
2 |
0 |
0 |
0.000 |
15 |
16 |
|
[NPO]B:501 |
10 |
1 |
274 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
20 |
7 |
13393 |
138.2 |
2.6 |
0.104 |
0 |
0 |
0 |
0.000 |
16 |
17 |
|
[IDS]D:3 |
13 |
1 |
361 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
12757 |
135.0 |
3.1 |
0.479 |
4 |
0 |
0 |
0.000 |
17 |
18 |
|
B |
22 |
7 |
13393 |
x |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
16 |
5 |
13393 |
133.8 |
1.1 |
0.759 |
2 |
3 |
0 |
0.000 |
18 |
19 |
|
[SGN]D:4 |
12 |
1 |
430 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
12757 |
130.8 |
3.8 |
0.488 |
3 |
0 |
0 |
0.000 |
19 |
20 |
|
[IDS]E:3 |
14 |
1 |
365 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
13393 |
130.3 |
2.2 |
0.329 |
5 |
0 |
0 |
0.000 |
20 |
21 |
|
[EDO]A:504 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
25 |
9 |
12757 |
112.1 |
3.3 |
0.485 |
5 |
0 |
0 |
0.000 |
21 |
22 |
|
[EDO]A:505 |
4 |
1 |
184 |
◊ |
A |
-x+3/2,y-1/2,-z+2 |
4_647 |
19 |
8 |
12757 |
110.7 |
3.4 |
0.494 |
4 |
0 |
0 |
0.000 |
22 |
23 |
|
[EDO]B:506 |
3 |
1 |
173 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
13393 |
101.2 |
3.2 |
0.273 |
2 |
0 |
0 |
0.000 |
23 |
24 |
|
[BDP]E:7 |
9 |
1 |
299 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
13393 |
101.1 |
2.1 |
0.597 |
0 |
0 |
0 |
0.000 |
24 |
25 |
|
[EDO]B:504 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
13393 |
100.1 |
3.0 |
0.479 |
2 |
0 |
0 |
0.000 |
25 |
26 |
|
[IDS]D:5 |
10 |
1 |
362 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
12757 |
94.5 |
1.4 |
0.436 |
3 |
0 |
0 |
0.000 |
26 |
27 |
|
[EDO]B:505 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
13393 |
93.9 |
2.7 |
0.416 |
0 |
0 |
0 |
0.000 |
27 |
28 |
|
[EDO]B:507 |
3 |
1 |
172 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
13393 |
90.6 |
2.3 |
0.135 |
1 |
0 |
0 |
0.000 |
28 |
29 |
|
[BDP]E:1 |
7 |
1 |
300 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
13393 |
88.4 |
0.8 |
0.432 |
0 |
0 |
0 |
0.000 |
29 |
30 |
|
[BDP]D:1 |
9 |
1 |
301 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
12757 |
87.6 |
1.8 |
0.484 |
1 |
0 |
0 |
0.000 |
30 |
31 |
|
[IDS]D:3 |
10 |
1 |
361 |
cf |
[SGN]D:4 |
x,y,z |
1_555 |
10 |
1 |
430 |
85.7 |
1.9 |
0.202 |
1 |
0 |
0 |
0.000 |
31 |
32 |
|
[NGY]E:8 |
9 |
1 |
433 |
◊ |
A |
-x+3/2,y-1/2,-z+2 |
4_647 |
10 |
4 |
12757 |
85.1 |
0.4 |
0.365 |
1 |
0 |
0 |
0.000 |
32 |
33 |
|
[IDS]E:3 |
10 |
1 |
365 |
cf |
[SGN]E:2 |
x,y,z |
1_555 |
9 |
1 |
433 |
81.5 |
1.3 |
0.169 |
0 |
0 |
0 |
0.000 |
33 |
34 |
|
[IDS]D:5 |
11 |
1 |
362 |
cf |
[SGN]D:4 |
x,y,z |
1_555 |
7 |
1 |
430 |
80.3 |
1.9 |
0.205 |
0 |
0 |
0 |
0.000 |
34 |
35 |
|
[IDS]D:3 |
8 |
1 |
361 |
cf |
[SGN]D:2 |
x,y,z |
1_555 |
9 |
1 |
432 |
77.7 |
1.5 |
0.180 |
0 |
0 |
0 |
0.000 |
35 |
36 |
|
[BDP]D:1 |
6 |
1 |
301 |
◊ |
A |
-x+3/2,y-1/2,-z+2 |
4_647 |
12 |
5 |
12757 |
74.6 |
0.6 |
0.452 |
0 |
0 |
0 |
0.000 |
36 |
37 |
|
[NGY]E:8 |
9 |
1 |
433 |
cf |
[BDP]E:7 |
x,y,z |
1_555 |
7 |
1 |
299 |
73.5 |
1.9 |
0.289 |
0 |
0 |
0 |
0.000 |
37 |
38 |
|
[SGN]E:2 |
10 |
1 |
433 |
cf |
[BDP]E:1 |
x,y,z |
1_555 |
7 |
1 |
300 |
73.1 |
1.5 |
0.221 |
1 |
0 |
0 |
0.000 |
38 |
39 |
|
[IDS]D:5 |
8 |
1 |
362 |
cf |
[SGN]D:6 |
x,y,z |
1_555 |
10 |
1 |
435 |
73.1 |
1.6 |
0.215 |
0 |
0 |
0 |
0.000 |
39 |
40 |
|
[IDS]E:5 |
11 |
1 |
366 |
cf |
[SGN]E:4 |
x,y,z |
1_555 |
8 |
1 |
437 |
72.7 |
1.5 |
0.205 |
0 |
0 |
0 |
0.000 |
40 |
41 |
|
[IDS]E:3 |
10 |
1 |
365 |
cf |
[SGN]E:4 |
x,y,z |
1_555 |
12 |
1 |
437 |
72.3 |
1.7 |
0.179 |
0 |
0 |
0 |
0.000 |
41 |
42 |
|
[SGN]D:6 |
6 |
1 |
435 |
◊ |
B |
-x+3/2,y-1/2,-z+2 |
4_647 |
8 |
2 |
13393 |
72.1 |
2.8 |
0.494 |
2 |
0 |
0 |
0.000 |
42 |
43 |
|
[SGN]D:2 |
9 |
1 |
432 |
cf |
[BDP]D:1 |
x,y,z |
1_555 |
7 |
1 |
301 |
67.7 |
1.5 |
0.245 |
0 |
0 |
0 |
0.000 |
43 |
44 |
|
[SGN]E:6 |
6 |
1 |
431 |
cf |
[BDP]E:7 |
x,y,z |
1_555 |
7 |
1 |
299 |
66.9 |
1.3 |
0.215 |
0 |
0 |
0 |
0.000 |
44 |
45 |
|
[IDS]E:5 |
10 |
1 |
366 |
cf |
[SGN]E:6 |
x,y,z |
1_555 |
8 |
1 |
431 |
65.4 |
1.5 |
0.224 |
0 |
0 |
0 |
0.000 |
45 |
46 |
|
[BDP]E:1 |
7 |
1 |
300 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
5 |
2 |
13393 |
64.5 |
1.3 |
0.435 |
2 |
0 |
0 |
0.000 |
46 |
47 |
|
[NA]A:503 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
12757 |
63.7 |
-9.3 |
0.000 |
0 |
0 |
0 |
1.000 |
47 |
48 |
|
[SGN]D:6 |
5 |
1 |
435 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
12757 |
61.1 |
0.6 |
0.417 |
1 |
0 |
0 |
0.000 |
48 |
49 |
|
[NPO]B:501 |
10 |
1 |
274 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
13393 |
56.3 |
2.1 |
0.003 |
0 |
0 |
0 |
0.000 |
49 |
50 |
|
[SGN]D:4 |
6 |
1 |
430 |
◊ |
A |
-x+3/2,y-1/2,-z+2 |
4_647 |
9 |
3 |
12757 |
55.1 |
1.1 |
0.384 |
1 |
0 |
0 |
0.000 |
50 |
51 |
|
[EDO]B:508 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
13393 |
54.1 |
0.7 |
0.708 |
3 |
0 |
0 |
0.033 |
51 |
52 |
|
[BDP]E:1 |
6 |
1 |
300 |
cf |
[NPO]B:501 |
x,y,z |
1_555 |
3 |
1 |
274 |
52.1 |
2.1 |
0.271 |
0 |
0 |
0 |
0.000 |
52 |
53 |
|
[NGY]E:8 |
5 |
1 |
433 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
12757 |
50.9 |
0.0 |
0.410 |
4 |
0 |
0 |
0.098 |
53 |
54 |
|
[BDP]D:1 |
6 |
1 |
301 |
cf |
[NPO]A:501 |
x,y,z |
1_555 |
4 |
1 |
274 |
46.9 |
1.9 |
0.145 |
0 |
0 |
0 |
0.000 |
54 |
55 |
|
[NA]B:503 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
13393 |
44.0 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.358 |
55 |
56 |
|
[IDS]D:3 |
5 |
1 |
361 |
◊ |
A |
-x+3/2,y-1/2,-z+2 |
4_647 |
6 |
2 |
12757 |
41.9 |
1.5 |
0.576 |
0 |
0 |
0 |
0.000 |
56 |
57 |
|
[SGN]E:2 |
6 |
1 |
433 |
f |
[NA]B:503 |
x,y,z |
1_555 |
1 |
1 |
125 |
36.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.178 |
57 |
58 |
|
[SGN]D:4 |
4 |
1 |
430 |
◊ |
B |
-x+3/2,y-1/2,-z+2 |
4_647 |
2 |
1 |
13393 |
35.5 |
0.8 |
0.435 |
1 |
0 |
0 |
0.000 |
58 |
59 |
|
[NPO]A:501 |
4 |
1 |
274 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
12757 |
33.3 |
0.8 |
0.140 |
0 |
0 |
0 |
0.000 |
59 |
60 |
|
[SGN]D:2 |
5 |
1 |
432 |
f |
[EDO]A:504 |
x,y,z |
1_555 |
2 |
1 |
184 |
28.9 |
1.2 |
0.312 |
0 |
0 |
0 |
0.000 |
60 |
61 |
|
[EDO]A:505 |
2 |
1 |
184 |
f |
[NPO]A:501 |
x,y,z |
1_555 |
2 |
1 |
274 |
28.1 |
1.5 |
0.632 |
0 |
0 |
0 |
0.000 |
61 |
62 |
|
[EDO]B:504 |
3 |
1 |
184 |
◊ |
B |
-x+1,y,-z+2 |
2_657 |
2 |
2 |
13393 |
27.8 |
1.8 |
0.981 |
0 |
0 |
0 |
0.000 |
62 |
63 |
|
[IDS]E:3 |
5 |
1 |
365 |
f |
[NA]B:503 |
x,y,z |
1_555 |
1 |
1 |
125 |
25.6 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.146 |
63 |
64 |
|
B |
2 |
2 |
13393 |
◊ |
[NA]A:503 |
-x+3/2,y-1/2,-z+2 |
4_647 |
1 |
1 |
125 |
21.9 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
64 |
65 |
|
[SGN]D:2 |
3 |
1 |
432 |
◊ |
A |
-x+3/2,y-1/2,-z+2 |
4_647 |
3 |
2 |
12757 |
21.3 |
0.6 |
0.511 |
0 |
0 |
0 |
0.000 |
65 |
66 |
|
[SGN]D:2 |
3 |
1 |
432 |
f |
[A3P]A:502 |
x,y,z |
1_555 |
2 |
1 |
577 |
20.3 |
-0.8 |
0.267 |
0 |
0 |
0 |
0.094 |
66 |
67 |
|
[IDS]E:5 |
2 |
1 |
366 |
f |
[IDS]E:3 |
x,y,z |
1_555 |
2 |
1 |
365 |
17.9 |
0.4 |
0.416 |
0 |
0 |
0 |
0.000 |
67 |
68 |
|
[IDS]E:3 |
2 |
1 |
365 |
f |
[BDP]E:1 |
x,y,z |
1_555 |
4 |
1 |
300 |
17.8 |
0.4 |
0.315 |
0 |
0 |
0 |
0.000 |
68 |
69 |
|
[BDP]D:1 |
6 |
1 |
301 |
f |
[EDO]A:504 |
x,y,z |
1_555 |
2 |
1 |
184 |
16.9 |
0.9 |
0.562 |
0 |
0 |
0 |
0.000 |
69 |
70 |
|
[IDS]E:5 |
3 |
1 |
366 |
f |
[A3P]B:502 |
x,y,z |
1_555 |
2 |
1 |
575 |
15.6 |
-0.3 |
0.315 |
0 |
0 |
0 |
0.019 |
70 |
71 |
|
[SGN]E:4 |
3 |
1 |
437 |
f |
[A3P]B:502 |
x,y,z |
1_555 |
1 |
1 |
575 |
13.6 |
-0.6 |
0.209 |
0 |
0 |
0 |
0.031 |
71 |
72 |
|
[IDS]D:3 |
3 |
1 |
361 |
f |
[BDP]D:1 |
x,y,z |
1_555 |
4 |
1 |
301 |
13.4 |
0.3 |
0.306 |
0 |
0 |
0 |
0.000 |
72 |
73 |
|
[EDO]B:508 |
1 |
1 |
185 |
f |
[EDO]B:505 |
x,y,z |
1_555 |
3 |
1 |
182 |
10.6 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
73 |
74 |
|
[SGN]E:2 |
4 |
1 |
433 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
13393 |
9.1 |
0.5 |
0.426 |
0 |
0 |
0 |
0.000 |
74 |
75 |
|
[IDS]D:5 |
2 |
1 |
362 |
f |
[IDS]D:3 |
x,y,z |
1_555 |
2 |
1 |
361 |
6.6 |
0.1 |
0.368 |
0 |
0 |
0 |
0.000 |
75 |
76 |
|
[IDS]D:5 |
3 |
1 |
362 |
◊ |
B |
-x+3/2,y-1/2,-z+2 |
4_647 |
2 |
2 |
13393 |
6.4 |
0.1 |
0.420 |
0 |
0 |
0 |
0.000 |
76 |
77 |
|
[SGN]E:6 |
2 |
1 |
431 |
f |
[SGN]E:4 |
x,y,z |
1_555 |
2 |
1 |
437 |
6.2 |
0.2 |
0.256 |
0 |
0 |
0 |
0.000 |
77 |
78 |
|
[SGN]D:4 |
1 |
1 |
430 |
f |
[SGN]D:2 |
x,y,z |
1_555 |
1 |
1 |
432 |
3.0 |
0.0 |
0.235 |
0 |
0 |
0 |
0.000 |
78 |
79 |
|
[EDO]B:504 |
2 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
12757 |
3.0 |
-0.0 |
0.722 |
0 |
0 |
0 |
0.002 |
79 |
80 |
|
[IDS]E:5 |
1 |
1 |
366 |
f |
[BDP]E:7 |
x,y,z |
1_555 |
1 |
1 |
299 |
1.7 |
0.0 |
0.250 |
0 |
0 |
0 |
0.000 |
80 |
81 |
|
[BDP]E:1 |
1 |
1 |
300 |
f |
[NA]B:503 |
x,y,z |
1_555 |
1 |
1 |
125 |
0.9 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.006 |
|