## |
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 |
211 |
53 |
17949 |
◊ |
A |
x,y,z |
1_555 |
210 |
54 |
18718 |
1919.1 |
-19.9 |
0.048 |
31 |
8 |
0 |
0.268 |
2 |
2 |
|
[NDP]A:501 |
47 |
1 |
901 |
f |
A |
x,y,z |
1_555 |
92 |
28 |
18718 |
621.1 |
-5.2 |
0.316 |
16 |
0 |
0 |
0.186 |
3 |
|
[NDP]B:501 |
46 |
1 |
900 |
f |
B |
x,y,z |
1_555 |
91 |
26 |
17949 |
619.1 |
-5.2 |
0.348 |
15 |
0 |
0 |
0.186 |
Average: |
620.1 |
-5.2 |
0.332 |
16 |
0 |
0 |
0.186 |
3 |
4 |
|
B |
50 |
16 |
17949 |
x |
B |
x-1,y,z |
1_455 |
54 |
14 |
17949 |
480.1 |
-1.1 |
0.565 |
2 |
2 |
0 |
0.000 |
4 |
5 |
|
A |
27 |
11 |
18718 |
x |
A |
x-1,y,z |
1_455 |
33 |
11 |
18718 |
243.5 |
1.9 |
0.750 |
4 |
5 |
0 |
0.000 |
5 |
6 |
|
A |
33 |
14 |
18718 |
x |
A |
-x,y-1/2,-z |
2_545 |
31 |
12 |
18718 |
239.3 |
0.5 |
0.653 |
1 |
2 |
0 |
0.000 |
6 |
7 |
|
A |
23 |
9 |
18718 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
26 |
7 |
17949 |
217.6 |
1.4 |
0.761 |
2 |
0 |
0 |
0.000 |
7 |
8 |
|
[FOQ]B:503 |
18 |
1 |
407 |
f |
B |
x,y,z |
1_555 |
43 |
21 |
17949 |
207.1 |
-4.2 |
0.403 |
9 |
0 |
0 |
0.123 |
9 |
|
[FOQ]A:503 |
18 |
1 |
408 |
f |
A |
x,y,z |
1_555 |
43 |
20 |
18718 |
204.7 |
-4.2 |
0.379 |
8 |
0 |
0 |
0.123 |
Average: |
205.9 |
-4.2 |
0.391 |
9 |
0 |
0 |
0.123 |
8 |
10 |
|
[FOB]A:502 |
18 |
1 |
411 |
f |
A |
x,y,z |
1_555 |
44 |
20 |
18718 |
202.7 |
-4.1 |
0.392 |
8 |
0 |
0 |
0.059 |
9 |
11 |
|
[FOB]B:502 |
18 |
1 |
404 |
f |
B |
x,y,z |
1_555 |
44 |
21 |
17949 |
202.5 |
-4.1 |
0.414 |
11 |
0 |
0 |
0.069 |
10 |
12 |
|
B |
22 |
9 |
17949 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
19 |
5 |
17949 |
172.3 |
1.2 |
0.735 |
2 |
1 |
0 |
0.000 |
11 |
13 |
|
A |
25 |
9 |
18718 |
◊ |
B |
x,y-1,z |
1_545 |
17 |
5 |
17949 |
163.6 |
-2.2 |
0.200 |
0 |
0 |
0 |
0.000 |
12 |
14 |
|
[FOQ]A:503 |
18 |
1 |
408 |
f |
[FOB]A:502 |
x,y,z |
1_555 |
18 |
1 |
411 |
124.7 |
-2.4 |
0.766 |
0 |
0 |
0 |
0.037 |
15 |
|
[FOQ]B:503 |
18 |
1 |
407 |
f |
[FOB]B:502 |
x,y,z |
1_555 |
17 |
1 |
404 |
120.8 |
-2.4 |
0.745 |
0 |
0 |
0 |
0.037 |
Average: |
122.7 |
-2.4 |
0.756 |
0 |
0 |
0 |
0.037 |
13 |
16 |
|
A |
14 |
5 |
18718 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
13 |
5 |
17949 |
110.7 |
1.7 |
0.742 |
0 |
0 |
0 |
0.000 |
14 |
17 |
|
[ACT]A:506 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
18718 |
85.7 |
-0.7 |
0.553 |
0 |
0 |
0 |
0.005 |
15 |
18 |
|
[EDO]B:508 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
17949 |
82.3 |
1.9 |
0.234 |
0 |
0 |
0 |
0.000 |
16 |
19 |
|
[ACT]B:507 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
17949 |
81.3 |
0.0 |
0.686 |
1 |
0 |
0 |
0.003 |
17 |
20 |
|
[EDO]A:507 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
18718 |
68.4 |
2.1 |
0.302 |
2 |
0 |
0 |
0.000 |
18 |
21 |
|
[EDO]B:509 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
17949 |
59.1 |
0.9 |
0.651 |
1 |
0 |
0 |
0.000 |
19 |
22 |
|
[CL]A:505 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
18718 |
58.6 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.050 |
20 |
23 |
|
[MN]B:506 |
1 |
1 |
123 |
f |
B |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
4 |
17949 |
56.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.025 |
21 |
24 |
|
A |
9 |
4 |
18718 |
◊ |
B |
x-1,y,z |
1_455 |
10 |
5 |
17949 |
55.7 |
0.6 |
0.718 |
1 |
0 |
0 |
0.000 |
22 |
25 |
|
[MN]B:505 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
17949 |
54.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.027 |
23 |
26 |
|
[CL]A:505 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
17949 |
46.6 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.043 |
24 |
27 |
|
[MN]B:506 |
1 |
1 |
123 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
17949 |
46.3 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
28 |
|
[MN]B:505 |
1 |
1 |
123 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
18718 |
45.1 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.017 |
26 |
29 |
|
A |
5 |
1 |
18718 |
◊ |
B |
x-1,y-1,z |
1_445 |
4 |
1 |
17949 |
42.5 |
-0.6 |
0.335 |
0 |
0 |
0 |
0.000 |
27 |
30 |
|
[FOQ]A:503 |
6 |
1 |
408 |
f |
[NDP]A:501 |
x,y,z |
1_555 |
6 |
1 |
901 |
38.8 |
-0.3 |
0.572 |
0 |
0 |
0 |
0.005 |
31 |
|
[FOQ]B:503 |
6 |
1 |
407 |
f |
[NDP]B:501 |
x,y,z |
1_555 |
6 |
1 |
900 |
37.6 |
-0.3 |
0.581 |
0 |
0 |
0 |
0.005 |
Average: |
38.2 |
-0.3 |
0.576 |
0 |
0 |
0 |
0.005 |
28 |
32 |
|
[FOB]A:502 |
6 |
1 |
411 |
f |
[NDP]A:501 |
x,y,z |
1_555 |
6 |
1 |
901 |
38.2 |
-0.4 |
0.572 |
0 |
0 |
0 |
0.005 |
33 |
|
[FOB]B:502 |
6 |
1 |
404 |
f |
[NDP]B:501 |
x,y,z |
1_555 |
6 |
1 |
900 |
37.1 |
-0.3 |
0.587 |
0 |
0 |
0 |
0.005 |
Average: |
37.6 |
-0.3 |
0.580 |
0 |
0 |
0 |
0.005 |
29 |
34 |
|
[MN]A:504 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
18718 |
33.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.043 |
35 |
|
[MN]B:504 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
11 |
8 |
17949 |
33.1 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.043 |
Average: |
33.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.043 |
30 |
36 |
|
[MN]A:504 |
1 |
1 |
123 |
f |
[FOQ]A:503 |
x,y,z |
1_555 |
5 |
1 |
408 |
26.3 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.017 |
37 |
|
[MN]B:504 |
1 |
1 |
123 |
f |
[FOQ]B:503 |
x,y,z |
1_555 |
7 |
1 |
407 |
26.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.017 |
Average: |
26.2 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.017 |
31 |
38 |
|
[MN]A:504 |
1 |
1 |
123 |
f |
[FOB]A:502 |
x,y,z |
1_555 |
5 |
1 |
411 |
25.8 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.017 |
39 |
|
[MN]B:504 |
1 |
1 |
123 |
f |
[FOB]B:502 |
x,y,z |
1_555 |
8 |
1 |
404 |
25.3 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.017 |
Average: |
25.6 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.017 |
32 |
40 |
|
[MN]B:504 |
1 |
1 |
123 |
f |
[NDP]B:501 |
x,y,z |
1_555 |
3 |
1 |
900 |
16.0 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.013 |
41 |
|
[MN]A:504 |
1 |
1 |
123 |
f |
[NDP]A:501 |
x,y,z |
1_555 |
3 |
1 |
901 |
15.2 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.013 |
Average: |
15.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.013 |
33 |
42 |
|
[EDO]B:508 |
2 |
1 |
186 |
f |
B |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
17949 |
11.9 |
-0.0 |
0.419 |
0 |
0 |
0 |
0.000 |
34 |
43 |
|
[EDO]B:509 |
1 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
18718 |
2.4 |
-0.0 |
0.647 |
0 |
0 |
0 |
0.000 |
35 |
44 |
|
[EDO]B:509 |
1 |
1 |
185 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
17949 |
0.9 |
0.1 |
0.867 |
0 |
0 |
0 |
0.000 |
|