## |
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 |
283 |
73 |
20114 |
◊ |
A |
x,y,z |
1_555 |
279 |
75 |
20121 |
2757.5 |
-29.3 |
0.080 |
31 |
18 |
0 |
0.932 |
2 |
2 |
|
B |
165 |
47 |
20114 |
◊ |
A |
x,-y,-z |
4_555 |
170 |
49 |
20121 |
1627.5 |
-1.8 |
0.777 |
28 |
19 |
0 |
0.000 |
3 |
3 |
|
[NAD]A:501 |
39 |
1 |
853 |
f |
A |
x,y,z |
1_555 |
72 |
29 |
20121 |
510.3 |
-3.5 |
0.551 |
7 |
0 |
0 |
0.275 |
4 |
|
[NAD]B:501 |
38 |
1 |
852 |
f |
B |
x,y,z |
1_555 |
72 |
29 |
20114 |
509.3 |
-3.8 |
0.544 |
7 |
0 |
0 |
0.275 |
Average: |
509.8 |
-3.6 |
0.547 |
7 |
0 |
0 |
0.275 |
4 |
5 |
|
B |
55 |
21 |
20114 |
◊ |
A |
x-1/2,y+1/2,z |
5_455 |
58 |
24 |
20121 |
496.5 |
-0.0 |
0.735 |
5 |
3 |
0 |
0.000 |
5 |
6 |
|
A |
53 |
14 |
20121 |
◊ |
A |
x,-y,-z |
4_555 |
53 |
14 |
20121 |
430.0 |
-2.3 |
0.478 |
0 |
0 |
0 |
0.000 |
7 |
|
B |
54 |
14 |
20114 |
◊ |
B |
x,-y,-z |
4_555 |
54 |
14 |
20114 |
424.6 |
-3.5 |
0.371 |
0 |
0 |
0 |
0.000 |
Average: |
427.3 |
-2.9 |
0.424 |
0 |
0 |
0 |
0.000 |
6 |
8 |
|
[9W1]A:508 |
29 |
1 |
575 |
f |
A |
x,y,z |
1_555 |
49 |
20 |
20121 |
408.8 |
1.8 |
0.349 |
3 |
0 |
0 |
0.000 |
9 |
|
[9W1]B:509 |
29 |
1 |
572 |
f |
B |
x,y,z |
1_555 |
49 |
18 |
20114 |
397.1 |
1.5 |
0.335 |
3 |
0 |
0 |
0.000 |
Average: |
403.0 |
1.7 |
0.342 |
3 |
0 |
0 |
0.000 |
7 |
10 |
|
A |
25 |
7 |
20121 |
◊ |
B |
x-1/2,y-1/2,z |
5_445 |
26 |
7 |
20114 |
214.1 |
-1.7 |
0.488 |
4 |
0 |
0 |
0.000 |
8 |
11 |
|
[NAD]A:501 |
15 |
1 |
853 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
20114 |
166.0 |
-2.0 |
0.526 |
3 |
0 |
0 |
0.136 |
12 |
|
[NAD]B:501 |
15 |
1 |
852 |
◊ |
A |
x,y,z |
1_555 |
16 |
7 |
20121 |
165.9 |
-2.0 |
0.531 |
3 |
0 |
0 |
0.136 |
Average: |
166.0 |
-2.0 |
0.528 |
3 |
0 |
0 |
0.136 |
9 |
13 |
|
A |
17 |
6 |
20121 |
◊ |
B |
-x-1/2,y-1/2,-z+1/2 |
7_445 |
20 |
6 |
20114 |
165.6 |
-1.9 |
0.394 |
2 |
0 |
0 |
0.000 |
10 |
14 |
|
[EDO]B:504 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
20114 |
109.5 |
3.7 |
0.519 |
1 |
0 |
0 |
0.000 |
11 |
15 |
|
[EDO]B:508 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
20114 |
101.9 |
3.2 |
0.455 |
1 |
0 |
0 |
0.000 |
12 |
16 |
|
[EDO]A:502 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
20121 |
101.6 |
3.2 |
0.440 |
0 |
0 |
0 |
0.000 |
13 |
17 |
|
[EDO]A:506 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
20121 |
99.7 |
3.1 |
0.482 |
3 |
0 |
0 |
0.000 |
14 |
18 |
|
[EDO]B:507 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
20114 |
98.9 |
3.0 |
0.477 |
3 |
0 |
0 |
0.000 |
15 |
19 |
|
[EDO]B:505 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
17 |
9 |
20114 |
95.2 |
2.2 |
0.257 |
2 |
0 |
0 |
0.000 |
16 |
20 |
|
[EDO]A:507 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
20121 |
95.0 |
2.9 |
0.509 |
3 |
0 |
0 |
0.000 |
17 |
21 |
|
[EDO]A:504 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
20121 |
92.0 |
2.5 |
0.469 |
2 |
0 |
0 |
0.000 |
18 |
22 |
|
[EDO]B:502 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
20114 |
89.1 |
2.2 |
0.271 |
4 |
0 |
0 |
0.000 |
19 |
23 |
|
[EDO]B:506 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
20114 |
73.4 |
2.1 |
0.261 |
0 |
0 |
0 |
0.000 |
20 |
24 |
|
[EDO]A:503 |
4 |
1 |
184 |
◊ |
B |
x,-y,-z |
4_555 |
14 |
4 |
20114 |
69.7 |
2.4 |
0.462 |
1 |
0 |
0 |
0.000 |
21 |
25 |
|
B |
6 |
3 |
20114 |
x |
B |
x-1/2,-y+1/2,-z |
8_455 |
8 |
3 |
20114 |
69.2 |
0.6 |
0.643 |
0 |
0 |
0 |
0.000 |
26 |
|
A |
6 |
2 |
20121 |
x |
A |
x-1/2,-y-1/2,-z |
8_445 |
3 |
2 |
20121 |
28.3 |
0.3 |
0.668 |
0 |
0 |
0 |
0.000 |
Average: |
48.8 |
0.5 |
0.655 |
0 |
0 |
0 |
0.000 |
22 |
27 |
|
[EDO]B:503 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
20114 |
69.2 |
2.4 |
0.520 |
2 |
0 |
0 |
0.000 |
23 |
28 |
|
[EDO]A:509 |
4 |
1 |
182 |
◊ |
A |
x,-y,-z |
4_555 |
11 |
5 |
20121 |
68.9 |
1.9 |
0.304 |
2 |
0 |
0 |
0.000 |
24 |
29 |
|
[EDO]A:505 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
20121 |
68.7 |
2.2 |
0.424 |
0 |
0 |
0 |
0.000 |
25 |
30 |
|
[EDO]B:506 |
4 |
1 |
184 |
◊ |
B |
x-1/2,-y+1/2,-z |
8_455 |
8 |
3 |
20114 |
66.1 |
1.9 |
0.854 |
1 |
0 |
0 |
0.000 |
26 |
31 |
|
[EDO]A:505 |
4 |
1 |
184 |
f |
B |
x,-y,-z |
4_555 |
11 |
5 |
20114 |
62.8 |
1.7 |
0.298 |
4 |
0 |
0 |
0.002 |
27 |
32 |
|
[EDO]A:503 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
20121 |
61.1 |
1.6 |
0.296 |
4 |
0 |
0 |
0.004 |
28 |
33 |
|
[EDO]B:505 |
3 |
1 |
186 |
f |
A |
x,-y,-z |
4_555 |
8 |
4 |
20121 |
52.0 |
1.6 |
0.280 |
1 |
0 |
0 |
0.000 |
29 |
34 |
|
[EDO]A:509 |
3 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
20121 |
48.3 |
1.1 |
0.265 |
1 |
0 |
0 |
0.000 |
30 |
35 |
|
[EDO]B:503 |
3 |
1 |
184 |
◊ |
B |
x,-y,-z |
4_555 |
11 |
5 |
20114 |
46.8 |
1.1 |
0.264 |
1 |
0 |
0 |
0.000 |
31 |
36 |
|
[EDO]B:503 |
4 |
1 |
184 |
f |
A |
x,-y,-z |
4_555 |
8 |
3 |
20121 |
43.6 |
0.9 |
0.811 |
2 |
0 |
0 |
0.000 |
32 |
37 |
|
[EDO]A:509 |
2 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
20114 |
39.7 |
1.3 |
0.537 |
0 |
0 |
0 |
0.000 |
33 |
38 |
|
[EDO]B:507 |
2 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
20121 |
33.6 |
0.4 |
0.484 |
1 |
0 |
0 |
0.001 |
34 |
39 |
|
[EDO]B:504 |
2 |
1 |
185 |
f |
A |
x,-y,-z |
4_555 |
6 |
3 |
20121 |
27.8 |
0.4 |
0.729 |
0 |
0 |
0 |
0.000 |
35 |
40 |
|
[EDO]A:506 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
20114 |
27.3 |
0.1 |
0.611 |
1 |
0 |
0 |
0.008 |
36 |
41 |
|
[9W1]B:509 |
2 |
1 |
572 |
f |
[NAD]B:501 |
x,y,z |
1_555 |
2 |
1 |
852 |
23.1 |
-0.1 |
0.333 |
0 |
0 |
0 |
0.005 |
42 |
|
[9W1]A:508 |
2 |
1 |
575 |
f |
[NAD]A:501 |
x,y,z |
1_555 |
2 |
1 |
853 |
20.1 |
-0.1 |
0.326 |
0 |
0 |
0 |
0.005 |
Average: |
21.6 |
-0.1 |
0.329 |
0 |
0 |
0 |
0.005 |
37 |
43 |
|
[EDO]B:506 |
3 |
1 |
184 |
f |
A |
x,-y,-z |
4_555 |
2 |
2 |
20121 |
17.8 |
0.0 |
0.591 |
0 |
0 |
0 |
0.000 |
38 |
44 |
|
[EDO]A:503 |
2 |
1 |
184 |
◊ |
A |
x,-y,-z |
4_555 |
2 |
1 |
20121 |
12.4 |
0.0 |
0.301 |
0 |
0 |
0 |
0.000 |
39 |
45 |
|
[EDO]A:505 |
1 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
20114 |
10.0 |
0.0 |
0.250 |
0 |
0 |
0 |
0.000 |
|