## |
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 |
|
A |
291 |
70 |
16365 |
◊ |
A |
-x,-y,z |
2_555 |
292 |
70 |
16365 |
2751.0 |
-25.0 |
0.342 |
17 |
4 |
0 |
1.000 |
2 |
|
B |
276 |
69 |
16320 |
◊ |
B |
-x,-y,z |
2_555 |
278 |
70 |
16320 |
2635.2 |
-22.8 |
0.373 |
20 |
8 |
0 |
1.000 |
Average: |
2693.1 |
-23.9 |
0.357 |
19 |
6 |
0 |
1.000 |
2 |
3 |
|
B |
284 |
68 |
16320 |
◊ |
A |
x,y,z |
1_555 |
287 |
67 |
16365 |
2508.9 |
-28.2 |
0.177 |
28 |
3 |
0 |
1.000 |
3 |
4 |
|
B |
40 |
14 |
16320 |
◊ |
B |
-x,y,-z |
3_555 |
40 |
14 |
16320 |
388.7 |
-3.7 |
0.423 |
0 |
0 |
0 |
0.049 |
4 |
5 |
|
B |
46 |
12 |
16320 |
◊ |
B |
x,-y,-z |
4_555 |
46 |
12 |
16320 |
379.0 |
-3.2 |
0.511 |
4 |
0 |
0 |
0.138 |
5 |
6 |
|
B |
43 |
15 |
16320 |
◊ |
B |
-x-1,-y,z |
2_455 |
43 |
15 |
16320 |
375.8 |
2.1 |
0.897 |
1 |
4 |
0 |
0.000 |
6 |
7 |
|
B |
25 |
8 |
16320 |
◊ |
A |
-x,-y,z |
2_555 |
25 |
8 |
16365 |
266.1 |
-0.8 |
0.639 |
2 |
4 |
0 |
0.035 |
7 |
8 |
|
A |
26 |
12 |
16365 |
◊ |
A |
-x,y,-z-1 |
3_554 |
26 |
12 |
16365 |
194.2 |
0.1 |
0.749 |
0 |
0 |
0 |
0.000 |
8 |
9 |
|
[MXE]A:403 |
5 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
25 |
11 |
16365 |
141.2 |
5.5 |
0.603 |
1 |
0 |
0 |
0.000 |
9 |
10 |
|
[MXE]A:404 |
5 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
26 |
9 |
16365 |
129.4 |
4.3 |
0.521 |
0 |
0 |
0 |
0.000 |
10 |
11 |
|
[MXE]A:405 |
5 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
22 |
8 |
16365 |
128.9 |
4.5 |
0.466 |
2 |
0 |
0 |
0.000 |
11 |
12 |
|
[AZA]A:401 |
11 |
1 |
268 |
◊ |
A |
x,y,z |
1_555 |
19 |
9 |
16365 |
126.9 |
2.1 |
0.406 |
3 |
0 |
0 |
0.000 |
13 |
|
[AZA]B:402 |
11 |
1 |
269 |
◊ |
B |
x,y,z |
1_555 |
20 |
9 |
16320 |
125.7 |
2.1 |
0.377 |
3 |
0 |
0 |
0.000 |
Average: |
126.3 |
2.1 |
0.392 |
3 |
0 |
0 |
0.000 |
12 |
14 |
|
B |
18 |
5 |
16320 |
◊ |
A |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
16 |
4 |
16365 |
117.8 |
-1.1 |
0.529 |
0 |
0 |
0 |
0.000 |
13 |
15 |
|
A |
9 |
3 |
16365 |
◊ |
B |
x-1/2,-y-1/2,-z-1/2 |
8_444 |
12 |
5 |
16320 |
110.3 |
-2.0 |
0.240 |
0 |
1 |
0 |
0.000 |
14 |
16 |
|
[MXE]A:406 |
5 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
16320 |
104.3 |
3.0 |
0.312 |
0 |
0 |
0 |
0.000 |
15 |
17 |
|
[MXE]B:401 |
5 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
16365 |
87.6 |
1.7 |
0.128 |
1 |
0 |
0 |
0.000 |
16 |
18 |
|
[MXE]B:401 |
4 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
16320 |
79.7 |
1.9 |
0.201 |
0 |
0 |
0 |
0.000 |
17 |
19 |
|
A |
11 |
5 |
16365 |
x |
A |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
16 |
7 |
16365 |
79.5 |
1.3 |
0.814 |
0 |
0 |
0 |
0.000 |
18 |
20 |
|
[MXE]A:406 |
5 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
16365 |
75.3 |
2.5 |
0.127 |
1 |
0 |
0 |
0.000 |
19 |
21 |
|
[AZA]B:402 |
7 |
1 |
269 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
16365 |
66.9 |
0.4 |
0.144 |
1 |
0 |
0 |
0.640 |
22 |
|
[AZA]A:401 |
7 |
1 |
268 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
16320 |
65.3 |
0.4 |
0.134 |
1 |
0 |
0 |
0.640 |
Average: |
66.1 |
0.4 |
0.139 |
1 |
0 |
0 |
0.640 |
20 |
23 |
|
A |
5 |
2 |
16365 |
◊ |
A |
x,-y,-z-1 |
4_554 |
5 |
2 |
16365 |
66.0 |
2.2 |
0.951 |
0 |
0 |
0 |
0.000 |
21 |
24 |
|
[NA]B:405 |
1 |
1 |
125 |
f |
B |
x,-y,-z |
4_555 |
12 |
5 |
16320 |
53.9 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.407 |
22 |
25 |
|
[OXY]A:402 |
2 |
1 |
120 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
16365 |
43.2 |
0.7 |
0.845 |
1 |
0 |
0 |
0.000 |
23 |
26 |
|
[OXY]B:403 |
2 |
1 |
120 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
16320 |
42.8 |
0.7 |
0.827 |
1 |
0 |
0 |
0.000 |
24 |
27 |
|
[NA]B:405 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
16320 |
41.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.249 |
25 |
28 |
|
[SO4]B:404 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
16320 |
41.6 |
-3.5 |
0.988 |
1 |
0 |
0 |
0.215 |
26 |
29 |
|
[SO4]B:404 |
4 |
1 |
185 |
◊ |
A |
-x,-y,z |
2_555 |
2 |
1 |
16365 |
39.9 |
-3.6 |
0.985 |
0 |
0 |
0 |
0.054 |
27 |
30 |
|
[OXY]A:402 |
2 |
1 |
120 |
◊ |
[AZA]A:401 |
x,y,z |
1_555 |
10 |
1 |
268 |
32.1 |
1.0 |
0.018 |
0 |
0 |
0 |
0.000 |
28 |
31 |
|
[OXY]B:403 |
2 |
1 |
120 |
◊ |
[AZA]B:402 |
x,y,z |
1_555 |
9 |
1 |
269 |
31.1 |
1.0 |
0.025 |
0 |
0 |
0 |
0.000 |
29 |
32 |
|
B |
5 |
2 |
16320 |
◊ |
A |
-x-1,-y,z |
2_455 |
2 |
1 |
16365 |
31.1 |
-0.6 |
0.306 |
0 |
0 |
0 |
0.000 |
30 |
33 |
|
[OXY]B:403 |
2 |
1 |
120 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
16365 |
22.9 |
0.4 |
0.825 |
0 |
0 |
0 |
0.000 |
31 |
34 |
|
[OXY]A:402 |
2 |
1 |
120 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
16320 |
22.1 |
0.3 |
0.775 |
0 |
0 |
0 |
0.000 |
32 |
35 |
|
[NA]B:405 |
1 |
1 |
125 |
◊ |
B |
-x,y,-z |
3_555 |
1 |
1 |
16320 |
7.1 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.029 |
33 |
36 |
|
A |
1 |
1 |
16365 |
◊ |
[SO4]B:404 |
x-1/2,-y-1/2,-z-1/2 |
8_444 |
1 |
1 |
185 |
0.8 |
-0.1 |
0.729 |
0 |
0 |
0 |
0.000 |
|