## |
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 |
76 |
21 |
15336 |
◊ |
A |
x,y,z |
1_555 |
77 |
20 |
14994 |
687.4 |
-2.5 |
0.453 |
15 |
12 |
0 |
0.000 |
2 |
2 |
|
B |
49 |
15 |
15336 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
54 |
18 |
14994 |
427.6 |
-2.9 |
0.307 |
3 |
3 |
0 |
0.000 |
3 |
3 |
|
A |
35 |
11 |
14994 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
51 |
13 |
15336 |
383.4 |
0.8 |
0.655 |
7 |
4 |
0 |
0.000 |
4 |
4 |
|
[AMP]A:1003 |
23 |
1 |
473 |
f |
A |
x,y,z |
1_555 |
46 |
21 |
14994 |
294.4 |
-0.5 |
0.566 |
4 |
0 |
0 |
0.009 |
5 |
|
[AMP]B:1003 |
23 |
1 |
474 |
f |
B |
x,y,z |
1_555 |
48 |
21 |
15336 |
287.6 |
-1.5 |
0.439 |
4 |
0 |
0 |
0.009 |
Average: |
291.0 |
-1.0 |
0.503 |
4 |
0 |
0 |
0.009 |
5 |
6 |
|
A |
28 |
10 |
14994 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
29 |
9 |
15336 |
240.3 |
1.9 |
0.782 |
1 |
4 |
0 |
0.000 |
6 |
7 |
|
A |
24 |
7 |
14994 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
31 |
9 |
14994 |
226.3 |
-0.7 |
0.525 |
3 |
1 |
0 |
0.000 |
7 |
8 |
|
[B3P]A:601 |
14 |
1 |
476 |
◊ |
A |
x,y,z |
1_555 |
22 |
7 |
14994 |
184.3 |
3.1 |
0.426 |
1 |
0 |
0 |
0.000 |
8 |
9 |
|
[B3P]A:601 |
11 |
1 |
476 |
f |
B |
-x+1/2,-y,z-1/2 |
2_554 |
12 |
4 |
15336 |
117.0 |
1.3 |
0.317 |
2 |
0 |
0 |
0.000 |
9 |
10 |
|
[EDO]A:520 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
22 |
7 |
14994 |
114.5 |
3.5 |
0.594 |
0 |
0 |
0 |
0.000 |
10 |
11 |
|
[EDO]B:517 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
15336 |
111.8 |
3.5 |
0.566 |
0 |
0 |
0 |
0.000 |
11 |
12 |
|
[EDO]A:515 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
18 |
8 |
14994 |
109.4 |
3.0 |
0.472 |
2 |
0 |
0 |
0.000 |
12 |
13 |
|
[EDO]A:516 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
14994 |
108.8 |
3.5 |
0.586 |
1 |
0 |
0 |
0.000 |
13 |
14 |
|
[EDO]B:503 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
15336 |
108.4 |
3.8 |
0.518 |
2 |
0 |
0 |
0.000 |
14 |
15 |
|
[EDO]A:522 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
14994 |
106.6 |
2.6 |
0.308 |
1 |
0 |
0 |
0.000 |
15 |
16 |
|
[EDO]B:508 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
15336 |
104.6 |
2.2 |
0.302 |
1 |
0 |
0 |
0.000 |
16 |
17 |
|
[EDO]B:526 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
23 |
9 |
15336 |
103.3 |
3.1 |
0.473 |
5 |
0 |
0 |
0.000 |
17 |
18 |
|
[EDO]A:536 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
14994 |
101.9 |
4.0 |
0.532 |
2 |
0 |
0 |
0.000 |
18 |
19 |
|
[EDO]A:521 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
14994 |
99.7 |
2.9 |
0.548 |
3 |
0 |
0 |
0.000 |
19 |
20 |
|
[EDO]B:534 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
20 |
10 |
15336 |
99.7 |
3.2 |
0.478 |
3 |
0 |
0 |
0.000 |
20 |
21 |
|
[EDO]A:523 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
14994 |
98.3 |
2.7 |
0.473 |
5 |
0 |
0 |
0.000 |
21 |
22 |
|
[EDO]B:542 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
15336 |
95.0 |
2.2 |
0.393 |
2 |
0 |
0 |
0.000 |
22 |
23 |
|
[EDO]B:543 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
15336 |
93.4 |
2.2 |
0.383 |
2 |
0 |
0 |
0.000 |
23 |
24 |
|
[EDO]A:538 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
14994 |
93.2 |
2.7 |
0.416 |
1 |
0 |
0 |
0.000 |
24 |
25 |
|
[EDO]B:535 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
10 |
15336 |
93.0 |
2.6 |
0.477 |
3 |
0 |
0 |
0.000 |
25 |
26 |
|
[EDO]B:501 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
15336 |
92.8 |
3.2 |
0.501 |
1 |
0 |
0 |
0.000 |
26 |
27 |
|
[EDO]A:539 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
14994 |
89.4 |
2.9 |
0.503 |
3 |
0 |
0 |
0.000 |
27 |
28 |
|
[EDO]A:533 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
14994 |
86.7 |
2.4 |
0.407 |
1 |
0 |
0 |
0.000 |
28 |
29 |
|
[EDO]A:540 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
14994 |
86.3 |
2.2 |
0.378 |
1 |
0 |
0 |
0.000 |
29 |
30 |
|
A |
9 |
3 |
14994 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
12 |
5 |
15336 |
85.0 |
-0.8 |
0.378 |
0 |
0 |
0 |
0.000 |
30 |
31 |
|
B |
10 |
5 |
15336 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
8 |
2 |
15336 |
84.7 |
2.1 |
0.883 |
1 |
1 |
0 |
0.000 |
31 |
32 |
|
[EDO]B:525 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
15336 |
82.8 |
2.8 |
0.296 |
3 |
0 |
0 |
0.000 |
33 |
|
[EDO]A:502 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
14994 |
80.3 |
2.4 |
0.280 |
2 |
0 |
0 |
0.000 |
Average: |
81.5 |
2.6 |
0.288 |
3 |
0 |
0 |
0.000 |
32 |
34 |
|
[EDO]B:509 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
15336 |
80.6 |
1.3 |
0.621 |
1 |
0 |
0 |
0.000 |
33 |
35 |
|
[EDO]A:519 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
14994 |
79.6 |
2.4 |
0.268 |
2 |
0 |
0 |
0.000 |
34 |
36 |
|
[EDO]B:524 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
14994 |
77.9 |
1.7 |
0.188 |
0 |
0 |
0 |
0.000 |
35 |
37 |
|
[EDO]A:537 |
4 |
1 |
183 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
11 |
4 |
15336 |
76.6 |
2.0 |
0.328 |
0 |
0 |
0 |
0.000 |
36 |
38 |
|
[EDO]B:541 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
15336 |
70.7 |
1.5 |
0.762 |
2 |
0 |
0 |
0.000 |
37 |
39 |
|
[EDO]B:524 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
15336 |
63.8 |
0.6 |
0.569 |
1 |
0 |
0 |
0.000 |
38 |
40 |
|
[EDO]A:537 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
14994 |
50.1 |
1.5 |
0.833 |
0 |
0 |
0 |
0.000 |
39 |
41 |
|
[EDO]B:525 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
14994 |
44.0 |
1.6 |
0.283 |
0 |
0 |
0 |
0.000 |
42 |
|
[EDO]A:502 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
15336 |
39.2 |
1.1 |
0.696 |
0 |
0 |
0 |
0.000 |
Average: |
41.6 |
1.3 |
0.490 |
0 |
0 |
0 |
0.000 |
40 |
43 |
|
[MG]B:1002 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
15336 |
41.1 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.020 |
44 |
|
[MG]A:1002 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
14994 |
41.0 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.020 |
Average: |
41.0 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.020 |
41 |
45 |
|
[EDO]A:536 |
2 |
1 |
183 |
f |
B |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
1 |
15336 |
38.9 |
0.8 |
0.417 |
1 |
0 |
0 |
0.000 |
42 |
46 |
|
[EDO]B:503 |
2 |
1 |
184 |
f |
[EDO]B:501 |
x,y,z |
1_555 |
2 |
1 |
184 |
38.0 |
1.8 |
1.000 |
1 |
0 |
0 |
0.000 |
43 |
47 |
|
[ZN]A:1001 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
14994 |
34.6 |
-24.7 |
0.000 |
0 |
0 |
0 |
0.083 |
48 |
|
[ZN]B:1001 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
15336 |
34.3 |
-24.7 |
0.000 |
0 |
0 |
0 |
0.083 |
Average: |
34.4 |
-24.7 |
0.000 |
0 |
0 |
0 |
0.083 |
44 |
49 |
|
[EDO]A:523 |
3 |
1 |
184 |
f |
[AMP]A:1003 |
x,y,z |
1_555 |
6 |
1 |
473 |
32.9 |
0.3 |
0.620 |
0 |
0 |
0 |
0.000 |
45 |
50 |
|
A |
3 |
1 |
14994 |
◊ |
[EDO]B:526 |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
1 |
183 |
29.3 |
1.0 |
0.876 |
0 |
0 |
0 |
0.000 |
46 |
51 |
|
[EDO]B:535 |
3 |
1 |
184 |
f |
[AMP]B:1003 |
x,y,z |
1_555 |
6 |
1 |
474 |
28.5 |
0.1 |
0.625 |
0 |
0 |
0 |
0.000 |
47 |
52 |
|
B |
2 |
2 |
15336 |
f |
[EDO]A:515 |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
1 |
182 |
28.1 |
0.5 |
0.241 |
0 |
0 |
0 |
0.000 |
48 |
53 |
|
[EDO]B:542 |
4 |
1 |
183 |
f |
[EDO]B:541 |
x,y,z |
1_555 |
2 |
1 |
183 |
28.0 |
1.0 |
1.000 |
1 |
0 |
0 |
0.000 |
49 |
54 |
|
A |
3 |
1 |
14994 |
f |
[EDO]B:534 |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
1 |
183 |
27.9 |
0.2 |
0.406 |
0 |
0 |
0 |
0.000 |
50 |
55 |
|
[AMP]A:1003 |
3 |
1 |
473 |
f |
[ZN]A:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.9 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.036 |
56 |
|
[AMP]B:1003 |
3 |
1 |
474 |
f |
[ZN]B:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.5 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.036 |
Average: |
24.7 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.036 |
51 |
57 |
|
[AMP]A:1003 |
4 |
1 |
473 |
f |
[MG]A:1002 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.011 |
58 |
|
[AMP]B:1003 |
4 |
1 |
474 |
f |
[MG]B:1002 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.011 |
Average: |
24.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.011 |
52 |
59 |
|
B |
3 |
2 |
15336 |
f |
[EDO]A:539 |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
184 |
24.1 |
0.1 |
0.571 |
0 |
0 |
0 |
0.000 |
53 |
60 |
|
[EDO]B:543 |
2 |
1 |
184 |
f |
[AMP]B:1003 |
x,y,z |
1_555 |
5 |
1 |
474 |
23.6 |
-0.2 |
0.623 |
0 |
0 |
0 |
0.000 |
54 |
61 |
|
[EDO]B:534 |
1 |
1 |
183 |
◊ |
[EDO]B:526 |
x,y,z |
1_555 |
3 |
1 |
183 |
20.7 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
55 |
62 |
|
[EDO]B:543 |
2 |
1 |
184 |
f |
[EDO]B:535 |
x,y,z |
1_555 |
2 |
1 |
184 |
19.5 |
0.9 |
1.000 |
0 |
0 |
0 |
0.000 |
56 |
63 |
|
[EDO]B:543 |
2 |
1 |
184 |
f |
[EDO]B:508 |
x,y,z |
1_555 |
2 |
1 |
184 |
18.6 |
1.0 |
1.000 |
0 |
0 |
0 |
0.000 |
57 |
64 |
|
[EDO]B:508 |
3 |
1 |
184 |
f |
[AMP]B:1003 |
x,y,z |
1_555 |
3 |
1 |
474 |
16.1 |
-0.1 |
0.595 |
0 |
0 |
0 |
0.000 |
58 |
65 |
|
[EDO]A:522 |
2 |
1 |
183 |
f |
[EDO]A:521 |
x,y,z |
1_555 |
3 |
1 |
183 |
15.5 |
0.7 |
1.000 |
0 |
0 |
0 |
0.000 |
59 |
66 |
|
A |
2 |
1 |
14994 |
f |
[EDO]B:501 |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
1 |
184 |
13.9 |
0.0 |
0.572 |
0 |
0 |
0 |
0.000 |
60 |
67 |
|
[EDO]A:521 |
3 |
1 |
183 |
f |
[AMP]A:1003 |
x,y,z |
1_555 |
2 |
1 |
473 |
13.6 |
-0.3 |
0.574 |
0 |
0 |
0 |
0.000 |
61 |
68 |
|
[EDO]A:522 |
2 |
1 |
183 |
f |
[AMP]A:1003 |
x,y,z |
1_555 |
2 |
1 |
473 |
12.7 |
-0.4 |
0.548 |
0 |
0 |
0 |
0.001 |
62 |
69 |
|
[MG]A:1002 |
1 |
1 |
98 |
f |
[ZN]A:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.7 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.020 |
63 |
70 |
|
[MG]B:1002 |
1 |
1 |
98 |
f |
[ZN]B:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.6 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.016 |
64 |
71 |
|
[EDO]A:523 |
2 |
1 |
184 |
f |
[MG]A:1002 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.7 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
65 |
72 |
|
[EDO]B:535 |
1 |
1 |
184 |
f |
[MG]B:1002 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.7 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.001 |
66 |
73 |
|
A |
2 |
2 |
14994 |
x |
A |
x-1,y,z |
1_455 |
3 |
2 |
14994 |
7.1 |
-0.1 |
0.522 |
0 |
0 |
0 |
0.000 |
67 |
74 |
|
[EDO]A:523 |
2 |
1 |
184 |
f |
[EDO]A:521 |
x,y,z |
1_555 |
1 |
1 |
183 |
6.6 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
68 |
75 |
|
[EDO]B:525 |
1 |
1 |
184 |
f |
[EDO]B:509 |
x,y,z |
1_555 |
1 |
1 |
184 |
2.5 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
|