## |
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 |
512 |
123 |
18271 |
◊ |
A |
x,y,z |
1_555 |
498 |
122 |
18324 |
4702.6 |
-74.4 |
0.005 |
53 |
9 |
0 |
0.923 |
2 |
2 |
|
A |
54 |
17 |
18324 |
◊ |
B |
x-1,y,z |
1_455 |
46 |
16 |
18271 |
428.7 |
1.1 |
0.897 |
3 |
1 |
0 |
0.000 |
3 |
3 |
|
A |
41 |
16 |
18324 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
40 |
13 |
18271 |
321.7 |
-1.6 |
0.684 |
3 |
2 |
0 |
0.000 |
4 |
4 |
|
[3W1]A:503 |
15 |
1 |
402 |
f |
A |
x,y,z |
1_555 |
44 |
13 |
18324 |
232.4 |
-7.2 |
0.569 |
2 |
0 |
0 |
0.165 |
5 |
|
[3W1]B:503 |
15 |
1 |
401 |
f |
B |
x,y,z |
1_555 |
41 |
13 |
18271 |
231.4 |
-7.3 |
0.519 |
2 |
0 |
0 |
0.165 |
Average: |
231.9 |
-7.2 |
0.544 |
2 |
0 |
0 |
0.165 |
5 |
6 |
|
[EPE]A:502 |
13 |
1 |
405 |
f |
A |
x,y,z |
1_555 |
29 |
14 |
18324 |
221.3 |
6.0 |
0.192 |
4 |
0 |
0 |
0.000 |
6 |
7 |
|
[EPE]B:502 |
13 |
1 |
405 |
f |
B |
x,y,z |
1_555 |
29 |
13 |
18271 |
220.4 |
5.9 |
0.180 |
4 |
0 |
0 |
0.000 |
7 |
8 |
|
[PLP]B:501 |
15 |
1 |
383 |
cf |
B |
x,y,z |
1_555 |
37 |
16 |
18271 |
210.5 |
1.6 |
0.717 |
2 |
0 |
0 |
0.000 |
9 |
|
[PLP]A:501 |
15 |
1 |
384 |
cf |
A |
x,y,z |
1_555 |
39 |
16 |
18324 |
209.0 |
1.5 |
0.731 |
2 |
0 |
0 |
0.000 |
Average: |
209.7 |
1.5 |
0.724 |
2 |
0 |
0 |
0.000 |
8 |
10 |
|
A |
23 |
9 |
18324 |
◊ |
B |
x,y-1,z |
1_545 |
24 |
9 |
18271 |
198.5 |
1.8 |
0.907 |
2 |
0 |
0 |
0.000 |
9 |
11 |
|
[3W1]B:506 |
15 |
1 |
398 |
f |
B |
x,y,z |
1_555 |
29 |
13 |
18271 |
198.2 |
-5.2 |
0.601 |
1 |
0 |
0 |
0.115 |
10 |
12 |
|
A |
24 |
7 |
18324 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
18 |
6 |
18324 |
186.6 |
0.8 |
0.809 |
0 |
0 |
0 |
0.000 |
11 |
13 |
|
B |
14 |
6 |
18271 |
x |
B |
x-1,y,z |
1_455 |
22 |
7 |
18271 |
148.1 |
-1.2 |
0.556 |
0 |
0 |
0 |
0.000 |
12 |
14 |
|
[EDO]B:507 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
23 |
11 |
18271 |
115.0 |
2.7 |
0.469 |
1 |
0 |
0 |
0.000 |
13 |
15 |
|
[EDO]A:505 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
21 |
6 |
18324 |
108.0 |
3.4 |
0.527 |
1 |
0 |
0 |
0.000 |
14 |
16 |
|
[EDO]B:508 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
18271 |
100.6 |
3.1 |
0.481 |
4 |
0 |
0 |
0.000 |
15 |
17 |
|
[EDO]A:504 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
18324 |
95.7 |
1.6 |
0.380 |
1 |
0 |
0 |
0.000 |
16 |
18 |
|
[EDO]A:507 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
18324 |
92.8 |
2.7 |
0.505 |
3 |
0 |
0 |
0.000 |
17 |
19 |
|
[EDO]A:506 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
18324 |
89.3 |
1.6 |
0.325 |
0 |
0 |
0 |
0.000 |
18 |
20 |
|
[EDO]B:509 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
18271 |
86.7 |
3.3 |
0.335 |
2 |
0 |
0 |
0.000 |
19 |
21 |
|
A |
12 |
4 |
18324 |
x |
A |
x-1,y,z |
1_455 |
7 |
2 |
18324 |
86.6 |
0.5 |
0.719 |
1 |
0 |
0 |
0.000 |
20 |
22 |
|
A |
8 |
5 |
18324 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
10 |
3 |
18271 |
79.8 |
-0.5 |
0.560 |
0 |
0 |
0 |
0.000 |
21 |
23 |
|
[EDO]B:505 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
18271 |
74.9 |
1.4 |
0.757 |
1 |
0 |
0 |
0.000 |
22 |
24 |
|
[EDO]B:504 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
14 |
2 |
18271 |
73.7 |
2.5 |
0.487 |
0 |
0 |
0 |
0.000 |
23 |
25 |
|
A |
15 |
6 |
18324 |
f |
[EDO]B:510 |
x,y-1,z |
1_545 |
4 |
1 |
185 |
72.3 |
1.3 |
0.269 |
0 |
0 |
0 |
0.000 |
24 |
26 |
|
A |
11 |
5 |
18324 |
◊ |
[EDO]B:505 |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
1 |
185 |
68.3 |
1.8 |
0.252 |
0 |
0 |
0 |
0.000 |
25 |
27 |
|
[EPE]B:502 |
7 |
1 |
405 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
18324 |
65.6 |
0.2 |
0.025 |
1 |
0 |
0 |
0.002 |
26 |
28 |
|
A |
9 |
4 |
18324 |
◊ |
[EDO]B:509 |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
1 |
185 |
65.1 |
2.2 |
0.934 |
1 |
0 |
0 |
0.000 |
27 |
29 |
|
[EPE]A:502 |
8 |
1 |
405 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
18271 |
63.1 |
0.2 |
0.016 |
1 |
0 |
0 |
0.002 |
28 |
30 |
|
[EDO]B:510 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
18271 |
61.3 |
2.0 |
0.603 |
0 |
0 |
0 |
0.000 |
29 |
31 |
|
[EDO]B:511 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
9 |
2 |
18271 |
60.8 |
1.1 |
0.756 |
1 |
0 |
0 |
0.000 |
30 |
32 |
|
[PLP]A:501 |
5 |
1 |
384 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
18271 |
59.0 |
-1.9 |
0.393 |
2 |
0 |
0 |
0.052 |
33 |
|
[PLP]B:501 |
5 |
1 |
383 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
18324 |
54.5 |
-1.9 |
0.415 |
2 |
0 |
0 |
0.052 |
Average: |
56.7 |
-1.9 |
0.404 |
2 |
0 |
0 |
0.052 |
31 |
34 |
|
[3W1]A:503 |
7 |
1 |
402 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
18271 |
51.9 |
-0.8 |
0.818 |
1 |
0 |
0 |
0.023 |
35 |
|
[3W1]B:503 |
7 |
1 |
401 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
18324 |
50.4 |
-0.7 |
0.828 |
1 |
0 |
0 |
0.023 |
Average: |
51.1 |
-0.8 |
0.823 |
1 |
0 |
0 |
0.023 |
32 |
36 |
|
A |
10 |
2 |
18324 |
f |
[EDO]B:511 |
x,y-1,z |
1_545 |
4 |
1 |
184 |
46.0 |
0.5 |
0.651 |
0 |
0 |
0 |
0.000 |
33 |
37 |
|
[3W1]A:503 |
4 |
1 |
402 |
f |
[PLP]A:501 |
x,y,z |
1_555 |
7 |
1 |
384 |
44.5 |
-0.8 |
0.621 |
1 |
0 |
0 |
0.024 |
38 |
|
[3W1]B:503 |
4 |
1 |
401 |
f |
[PLP]B:501 |
x,y,z |
1_555 |
7 |
1 |
383 |
44.1 |
-0.8 |
0.621 |
1 |
0 |
0 |
0.024 |
Average: |
44.3 |
-0.8 |
0.621 |
1 |
0 |
0 |
0.024 |
34 |
39 |
|
[EDO]B:511 |
3 |
1 |
184 |
f |
[EDO]B:510 |
x,y,z |
1_555 |
4 |
1 |
185 |
38.2 |
1.2 |
1.000 |
2 |
0 |
0 |
0.000 |
35 |
40 |
|
[3W1]B:503 |
2 |
1 |
401 |
f |
[EPE]B:502 |
x,y,z |
1_555 |
6 |
1 |
405 |
37.5 |
-2.1 |
0.019 |
0 |
0 |
0 |
0.043 |
36 |
41 |
|
[EDO]B:508 |
3 |
1 |
185 |
◊ |
[EDO]B:507 |
x,y,z |
1_555 |
3 |
1 |
183 |
36.9 |
1.7 |
1.000 |
0 |
0 |
0 |
0.000 |
37 |
42 |
|
[3W1]A:503 |
2 |
1 |
402 |
f |
[EPE]A:502 |
x,y,z |
1_555 |
6 |
1 |
405 |
36.0 |
-2.1 |
0.021 |
0 |
0 |
0 |
0.020 |
38 |
43 |
|
A |
3 |
1 |
18324 |
◊ |
B |
x-1/2,-y+3/2,-z |
4_465 |
3 |
1 |
18271 |
19.9 |
0.4 |
0.833 |
0 |
0 |
0 |
0.000 |
39 |
44 |
|
[EDO]A:507 |
2 |
1 |
185 |
f |
B |
x,y-1,z |
1_545 |
3 |
3 |
18271 |
9.2 |
0.2 |
0.767 |
0 |
0 |
0 |
0.000 |
40 |
45 |
|
[EDO]B:507 |
1 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
18324 |
1.4 |
0.0 |
0.696 |
0 |
0 |
0 |
0.000 |
41 |
46 |
|
[EDO]B:509 |
1 |
1 |
185 |
f |
[EDO]B:505 |
x,y,z |
1_555 |
1 |
1 |
185 |
0.2 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
|