## |
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 |
338 |
88 |
28744 |
◊ |
B |
-x+1,y,-z+2 |
2_657 |
334 |
88 |
28744 |
3127.1 |
-26.3 |
0.101 |
48 |
8 |
0 |
0.641 |
2 |
|
A |
331 |
87 |
28929 |
◊ |
A |
-x+1,y,-z+2 |
2_657 |
329 |
86 |
28929 |
3080.7 |
-25.1 |
0.121 |
50 |
8 |
0 |
0.641 |
Average: |
3103.9 |
-25.7 |
0.111 |
49 |
8 |
0 |
0.641 |
2 |
3 |
|
B |
130 |
39 |
28744 |
◊ |
A |
-x+1,y,-z+2 |
2_657 |
130 |
39 |
28929 |
1305.9 |
-6.9 |
0.421 |
27 |
0 |
0 |
0.299 |
3 |
4 |
|
B |
93 |
28 |
28744 |
◊ |
A |
x,y,z |
1_555 |
93 |
29 |
28929 |
890.1 |
-7.5 |
0.243 |
6 |
0 |
0 |
0.087 |
4 |
5 |
|
B |
43 |
14 |
28744 |
◊ |
A |
x,y-1,z |
1_545 |
38 |
13 |
28929 |
337.7 |
-3.6 |
0.288 |
2 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
18 |
5 |
28744 |
◊ |
A |
-x+1/2,y-1/2,-z+2 |
4_547 |
22 |
7 |
28929 |
171.5 |
-0.1 |
0.643 |
3 |
0 |
0 |
0.000 |
6 |
7 |
|
B |
17 |
5 |
28744 |
◊ |
B |
-x+1,y,-z+3 |
2_658 |
17 |
5 |
28744 |
157.8 |
-2.3 |
0.228 |
1 |
0 |
0 |
0.000 |
7 |
8 |
|
B |
11 |
7 |
28744 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
11 |
7 |
28744 |
112.4 |
-3.4 |
0.037 |
0 |
0 |
0 |
0.000 |
8 |
9 |
|
[EDO]A:809 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
28929 |
107.4 |
3.5 |
0.566 |
2 |
0 |
0 |
0.000 |
9 |
10 |
|
B |
8 |
4 |
28744 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
14 |
6 |
28929 |
105.2 |
-1.9 |
0.090 |
0 |
0 |
0 |
0.000 |
10 |
11 |
|
[DIO]B:804 |
5 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
28744 |
104.6 |
4.0 |
0.361 |
1 |
0 |
0 |
0.000 |
11 |
12 |
|
[EDO]B:809 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
28744 |
102.0 |
2.7 |
0.476 |
2 |
0 |
0 |
0.000 |
13 |
|
[EDO]A:808 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
28929 |
101.1 |
2.6 |
0.467 |
2 |
0 |
0 |
0.000 |
Average: |
101.6 |
2.6 |
0.471 |
2 |
0 |
0 |
0.000 |
12 |
14 |
|
[EDO]A:805 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
28929 |
97.2 |
2.4 |
0.252 |
3 |
0 |
0 |
0.000 |
13 |
15 |
|
[EDO]B:806 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
28744 |
96.8 |
2.4 |
0.259 |
3 |
0 |
0 |
0.000 |
14 |
16 |
|
[EDO]B:810 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
13 |
8 |
28744 |
90.2 |
2.7 |
0.479 |
3 |
0 |
0 |
0.000 |
15 |
17 |
|
[SO4]A:802 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
18 |
5 |
28929 |
90.0 |
-11.1 |
0.966 |
3 |
0 |
0 |
0.247 |
16 |
18 |
|
[EDO]B:807 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
28744 |
88.5 |
2.2 |
0.269 |
1 |
0 |
0 |
0.000 |
17 |
19 |
|
[EDO]A:807 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
28929 |
85.3 |
1.6 |
0.731 |
2 |
0 |
0 |
0.000 |
18 |
20 |
|
[EDO]B:805 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
28744 |
83.0 |
2.4 |
0.424 |
1 |
0 |
0 |
0.000 |
19 |
21 |
|
[SO4]B:802 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
28744 |
75.8 |
-10.5 |
0.732 |
4 |
0 |
0 |
0.322 |
20 |
22 |
|
[SO4]A:803 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
28929 |
75.3 |
-11.2 |
0.525 |
1 |
0 |
0 |
0.232 |
21 |
23 |
|
[EDO]A:806 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
28929 |
74.4 |
1.4 |
0.742 |
3 |
0 |
0 |
0.000 |
22 |
24 |
|
[EDO]A:810 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
28929 |
73.3 |
2.1 |
0.934 |
4 |
0 |
0 |
0.000 |
23 |
25 |
|
A |
9 |
3 |
28929 |
x |
A |
x-1/2,y+1/2,z |
3_455 |
9 |
4 |
28929 |
73.0 |
-0.7 |
0.415 |
0 |
0 |
0 |
0.000 |
24 |
26 |
|
[SO4]A:804 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
28929 |
72.8 |
-9.8 |
0.779 |
4 |
0 |
0 |
0.231 |
25 |
27 |
|
[EDO]B:808 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
28744 |
71.9 |
0.9 |
0.600 |
3 |
0 |
0 |
0.011 |
26 |
28 |
|
[SO4]B:803 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
28744 |
71.5 |
-9.2 |
0.773 |
3 |
0 |
0 |
0.276 |
27 |
29 |
|
B |
9 |
4 |
28744 |
x |
B |
x,y,z-1 |
1_554 |
4 |
3 |
28744 |
59.3 |
-1.5 |
0.116 |
0 |
0 |
0 |
0.000 |
28 |
30 |
|
[DIO]B:804 |
4 |
1 |
218 |
f |
B |
-x+1,y,-z+2 |
2_657 |
5 |
4 |
28744 |
58.7 |
1.2 |
0.033 |
0 |
0 |
0 |
0.000 |
29 |
31 |
|
[EDO]B:810 |
3 |
1 |
184 |
f |
A |
x,y-1,z |
1_545 |
7 |
3 |
28929 |
52.3 |
1.1 |
0.196 |
0 |
0 |
0 |
0.000 |
30 |
32 |
|
B |
1 |
1 |
28744 |
◊ |
A |
-x+1,y-1,-z+2 |
2_647 |
1 |
1 |
28929 |
26.6 |
-0.9 |
0.055 |
0 |
0 |
0 |
0.000 |
31 |
33 |
|
[EDO]A:810 |
3 |
1 |
182 |
f |
[EDO]A:809 |
x,y,z |
1_555 |
2 |
1 |
185 |
25.3 |
1.6 |
1.000 |
0 |
0 |
0 |
0.000 |
32 |
34 |
|
[EDO]A:806 |
3 |
1 |
186 |
◊ |
A |
-x+1,y,-z+2 |
2_657 |
5 |
3 |
28929 |
24.7 |
0.9 |
0.873 |
0 |
0 |
0 |
0.000 |
33 |
35 |
|
[EDO]B:807 |
3 |
1 |
184 |
◊ |
[EDO]B:807 |
-x+1,y,-z+1 |
2_656 |
3 |
1 |
184 |
22.1 |
1.1 |
1.000 |
0 |
0 |
0 |
0.000 |
34 |
36 |
|
[EDO]B:807 |
1 |
1 |
184 |
f |
B |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
28744 |
5.9 |
-0.0 |
0.513 |
0 |
0 |
0 |
0.000 |
35 |
37 |
|
[EDO]A:810 |
2 |
1 |
182 |
f |
[SO4]A:803 |
x,y,z |
1_555 |
2 |
1 |
185 |
4.4 |
-0.5 |
1.000 |
0 |
0 |
0 |
0.009 |
|