## |
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 |
80 |
29 |
27515 |
◊ |
A |
-y+1,x,z+1/4 |
3_655 |
78 |
30 |
27761 |
768.0 |
-9.6 |
0.045 |
10 |
0 |
0 |
0.000 |
2 |
2 |
|
A |
58 |
20 |
27761 |
x |
A |
-y+1,x,z+1/4 |
3_655 |
62 |
20 |
27761 |
573.7 |
-2.0 |
0.401 |
6 |
2 |
0 |
0.000 |
3 |
3 |
|
B |
63 |
17 |
27515 |
◊ |
A |
-y,x,z+1/4 |
3_555 |
62 |
17 |
27761 |
562.5 |
4.2 |
0.859 |
7 |
2 |
0 |
0.000 |
4 |
4 |
|
A |
33 |
14 |
27761 |
x |
A |
-x+1,-y+1,z-1/2 |
2_664 |
27 |
8 |
27761 |
264.4 |
-1.3 |
0.401 |
5 |
0 |
0 |
0.000 |
5 |
5 |
|
[PEG]A:951 |
7 |
1 |
267 |
f |
A |
x,y,z |
1_555 |
28 |
13 |
27761 |
173.0 |
4.5 |
0.459 |
1 |
0 |
0 |
0.000 |
6 |
6 |
|
B |
13 |
7 |
27515 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
27761 |
148.7 |
1.4 |
0.609 |
1 |
2 |
0 |
0.000 |
7 |
7 |
|
[EDO]A:910 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
27761 |
106.3 |
3.7 |
0.533 |
2 |
0 |
0 |
0.000 |
8 |
8 |
|
[EDO]B:905 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
27515 |
105.3 |
3.3 |
0.492 |
3 |
0 |
0 |
0.000 |
9 |
9 |
|
[ACT]A:961 |
4 |
1 |
180 |
f |
A |
x,y,z |
1_555 |
26 |
8 |
27761 |
105.0 |
-1.5 |
0.393 |
1 |
0 |
0 |
0.023 |
10 |
10 |
|
[EDO]A:900 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
27761 |
104.6 |
3.4 |
0.495 |
3 |
0 |
0 |
0.000 |
11 |
11 |
|
[ACT]B:971 |
4 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
25 |
9 |
27515 |
102.5 |
-1.6 |
0.367 |
1 |
0 |
0 |
0.013 |
12 |
12 |
|
[EDO]A:904 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
27761 |
101.1 |
3.2 |
0.422 |
1 |
0 |
0 |
0.000 |
13 |
13 |
|
[EDO]B:906 |
4 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
27515 |
97.8 |
3.2 |
0.513 |
3 |
0 |
0 |
0.000 |
14 |
14 |
|
A |
9 |
4 |
27761 |
◊ |
B |
-y+1,x,z-3/4 |
3_654 |
13 |
4 |
27515 |
96.6 |
-1.2 |
0.297 |
0 |
0 |
0 |
0.000 |
15 |
15 |
|
[EDO]A:901 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
27761 |
94.5 |
3.0 |
0.496 |
4 |
0 |
0 |
0.000 |
16 |
16 |
|
[ACT]A:962 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
27761 |
92.7 |
-0.5 |
0.594 |
3 |
0 |
0 |
0.022 |
17 |
17 |
|
[ACT]A:973 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
27761 |
92.7 |
-0.4 |
0.622 |
1 |
0 |
0 |
0.010 |
18 |
18 |
|
[EDO]A:908 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
27761 |
92.1 |
2.7 |
0.433 |
3 |
0 |
0 |
0.000 |
19 |
19 |
|
[EDO]A:903 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
27761 |
83.5 |
2.5 |
0.401 |
1 |
0 |
0 |
0.000 |
20 |
20 |
|
[EDO]B:907 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
27515 |
82.9 |
2.4 |
0.379 |
1 |
0 |
0 |
0.000 |
21 |
21 |
|
[ACT]A:972 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
15 |
3 |
27761 |
82.4 |
0.4 |
0.712 |
1 |
0 |
0 |
0.000 |
22 |
22 |
|
[EDO]A:909 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
27761 |
79.6 |
2.5 |
0.427 |
0 |
0 |
0 |
0.000 |
23 |
23 |
|
[EDO]A:911 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
27761 |
78.3 |
2.3 |
0.260 |
1 |
0 |
0 |
0.000 |
24 |
24 |
|
[EDO]B:912 |
4 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
27515 |
73.5 |
2.1 |
0.226 |
0 |
0 |
0 |
0.000 |
25 |
25 |
|
[EDO]A:911 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
27515 |
72.7 |
0.9 |
0.558 |
0 |
0 |
0 |
0.000 |
26 |
26 |
|
[EDO]A:902 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
27761 |
60.7 |
1.8 |
0.929 |
2 |
0 |
0 |
0.000 |
27 |
27 |
|
[MG]A:700 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
27761 |
49.6 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.114 |
28 |
|
[MG]B:800 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
27515 |
49.4 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.114 |
Average: |
49.5 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.114 |
28 |
29 |
|
[CA]B:810 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
12 |
9 |
27515 |
48.1 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.144 |
30 |
|
[CA]A:710 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
13 |
9 |
27761 |
47.4 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.144 |
Average: |
47.7 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.144 |
29 |
31 |
|
[EDO]B:905 |
4 |
1 |
182 |
f |
A |
-y+1,x,z+1/4 |
3_655 |
6 |
2 |
27761 |
39.7 |
0.8 |
0.569 |
0 |
0 |
0 |
0.000 |
30 |
32 |
|
B |
7 |
3 |
27515 |
f |
[EDO]A:900 |
-y+1,x,z+1/4 |
3_655 |
3 |
1 |
182 |
36.3 |
0.4 |
0.587 |
0 |
0 |
0 |
0.000 |
31 |
33 |
|
[EDO]A:903 |
2 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
27515 |
35.9 |
0.5 |
0.587 |
0 |
0 |
0 |
0.000 |
32 |
34 |
|
B |
4 |
2 |
27515 |
x |
B |
-y+1,x,z+1/4 |
3_655 |
5 |
3 |
27515 |
29.9 |
-0.0 |
0.438 |
0 |
0 |
0 |
0.000 |
33 |
35 |
|
B |
4 |
2 |
27515 |
◊ |
A |
x-1,y,z |
1_455 |
6 |
3 |
27761 |
29.8 |
0.8 |
0.734 |
0 |
0 |
0 |
0.000 |
34 |
36 |
|
[ACT]A:961 |
1 |
1 |
180 |
f |
[EDO]A:901 |
x,y,z |
1_555 |
3 |
1 |
181 |
29.1 |
0.1 |
0.500 |
0 |
0 |
0 |
0.000 |
35 |
37 |
|
[ACT]B:971 |
3 |
1 |
181 |
f |
[EDO]B:906 |
x,y,z |
1_555 |
3 |
1 |
181 |
26.1 |
0.3 |
0.829 |
0 |
0 |
0 |
0.000 |
36 |
38 |
|
[EDO]A:902 |
1 |
1 |
183 |
f |
[EDO]A:901 |
x,y,z |
1_555 |
3 |
1 |
181 |
19.8 |
0.7 |
1.000 |
0 |
0 |
0 |
0.000 |
37 |
39 |
|
[ACT]A:962 |
1 |
1 |
181 |
f |
[EDO]A:901 |
x,y,z |
1_555 |
2 |
1 |
181 |
18.5 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
38 |
40 |
|
A |
4 |
2 |
27761 |
◊ |
B |
-x+1,-y+1,z-1/2 |
2_664 |
1 |
1 |
27515 |
15.4 |
0.2 |
0.711 |
0 |
0 |
0 |
0.000 |
|