## |
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 |
23 |
5 |
1256 |
◊ |
A |
x,y,z |
1_555 |
23 |
5 |
1252 |
154.6 |
-2.9 |
0.609 |
4 |
0 |
0 |
0.000 |
2 |
2 |
|
B |
14 |
4 |
1256 |
◊ |
A |
-x+y-1/3,-x-2/3,z+1/3 |
6_445 |
14 |
4 |
1252 |
106.8 |
-0.8 |
0.638 |
2 |
0 |
0 |
0.036 |
3 |
3 |
|
B |
14 |
4 |
1256 |
x |
B |
-y-1,x-y,z |
2_455 |
12 |
2 |
1256 |
101.7 |
-1.7 |
0.502 |
1 |
0 |
0 |
0.000 |
4 |
|
A |
12 |
2 |
1252 |
x |
A |
-y,x-y,z |
2_555 |
15 |
4 |
1252 |
101.5 |
-1.7 |
0.525 |
1 |
0 |
0 |
0.000 |
Average: |
101.6 |
-1.7 |
0.514 |
1 |
0 |
0 |
0.000 |
4 |
5 |
|
B |
5 |
1 |
1256 |
x |
B |
-x+y-1/3,-x-2/3,z+1/3 |
6_445 |
14 |
3 |
1256 |
78.5 |
-0.7 |
0.382 |
0 |
0 |
0 |
0.000 |
6 |
|
A |
14 |
3 |
1252 |
x |
A |
-x+y-1/3,-x-2/3,z+1/3 |
6_445 |
5 |
1 |
1252 |
78.4 |
-0.8 |
0.384 |
0 |
0 |
0 |
0.000 |
Average: |
78.5 |
-0.8 |
0.383 |
0 |
0 |
0 |
0.000 |
5 |
7 |
|
B |
11 |
1 |
1256 |
◊ |
A |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
11 |
1 |
1252 |
75.1 |
-4.9 |
0.276 |
0 |
0 |
0 |
0.107 |
6 |
8 |
|
[RER]A:102 |
6 |
1 |
300 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
1252 |
71.0 |
-1.4 |
0.310 |
0 |
0 |
0 |
0.375 |
9 |
|
[RER]B:102 |
6 |
1 |
299 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
1256 |
70.6 |
-1.4 |
0.299 |
0 |
0 |
0 |
0.375 |
Average: |
70.8 |
-1.4 |
0.304 |
0 |
0 |
0 |
0.375 |
7 |
10 |
|
[BGC]B:101 |
7 |
1 |
294 |
cf |
B |
x,y,z |
1_555 |
9 |
3 |
1256 |
66.7 |
-1.3 |
0.208 |
0 |
0 |
0 |
0.351 |
11 |
|
[BGC]A:101 |
7 |
1 |
294 |
cf |
A |
x,y,z |
1_555 |
9 |
3 |
1252 |
66.2 |
-1.3 |
0.196 |
0 |
0 |
0 |
0.351 |
Average: |
66.4 |
-1.3 |
0.202 |
0 |
0 |
0 |
0.351 |
8 |
12 |
|
[RER]A:102 |
6 |
1 |
300 |
cf |
[BGC]A:101 |
x,y,z |
1_555 |
4 |
1 |
294 |
56.2 |
2.3 |
0.359 |
0 |
0 |
0 |
0.000 |
13 |
|
[RER]B:102 |
6 |
1 |
299 |
cf |
[BGC]B:101 |
x,y,z |
1_555 |
4 |
1 |
294 |
55.8 |
2.3 |
0.353 |
0 |
0 |
0 |
0.000 |
Average: |
56.0 |
2.3 |
0.356 |
0 |
0 |
0 |
0.000 |
9 |
14 |
|
[BGC]B:101 |
6 |
1 |
294 |
◊ |
[BGC]A:101 |
x,y,z |
1_555 |
6 |
1 |
294 |
44.3 |
1.5 |
0.153 |
0 |
0 |
0 |
0.000 |
10 |
15 |
|
[EDO]B:104 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
1252 |
42.6 |
-0.9 |
0.490 |
1 |
0 |
0 |
0.029 |
11 |
16 |
|
B |
7 |
2 |
1256 |
◊ |
[EDO]B:104 |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
3 |
1 |
185 |
42.1 |
0.7 |
0.233 |
0 |
0 |
0 |
0.000 |
12 |
17 |
|
[EDO]A:103 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
1256 |
42.0 |
-0.9 |
0.489 |
1 |
0 |
0 |
0.029 |
13 |
18 |
|
[EDO]A:103 |
3 |
1 |
183 |
◊ |
A |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
7 |
2 |
1252 |
41.6 |
0.7 |
0.234 |
0 |
0 |
0 |
0.000 |
14 |
19 |
|
[BGC]A:101 |
4 |
1 |
294 |
◊ |
B |
x,y,z |
1_555 |
8 |
1 |
1256 |
41.4 |
0.7 |
0.395 |
0 |
0 |
0 |
0.000 |
20 |
|
[BGC]B:101 |
4 |
1 |
294 |
◊ |
A |
x,y,z |
1_555 |
9 |
1 |
1252 |
41.2 |
0.8 |
0.439 |
0 |
0 |
0 |
0.000 |
Average: |
41.3 |
0.7 |
0.417 |
0 |
0 |
0 |
0.000 |
15 |
21 |
|
[RER]A:102 |
4 |
1 |
300 |
◊ |
[BGC]B:101 |
x,y,z |
1_555 |
4 |
1 |
294 |
36.8 |
-0.1 |
0.160 |
0 |
0 |
0 |
0.000 |
22 |
|
[RER]B:102 |
3 |
1 |
299 |
◊ |
[BGC]A:101 |
x,y,z |
1_555 |
4 |
1 |
294 |
36.6 |
-0.1 |
0.157 |
0 |
0 |
0 |
0.000 |
Average: |
36.7 |
-0.1 |
0.158 |
0 |
0 |
0 |
0.000 |
16 |
23 |
|
[EDO]B:104 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
1256 |
34.2 |
0.8 |
0.860 |
2 |
0 |
0 |
0.000 |
17 |
24 |
|
[EDO]A:103 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
1252 |
33.9 |
0.8 |
0.861 |
2 |
0 |
0 |
0.000 |
18 |
25 |
|
[RER]B:102 |
3 |
1 |
299 |
◊ |
B |
-y-1,x-y,z |
2_455 |
5 |
2 |
1256 |
32.5 |
0.1 |
0.425 |
0 |
0 |
0 |
0.000 |
26 |
|
A |
5 |
2 |
1252 |
◊ |
[RER]A:102 |
-y,x-y,z |
2_555 |
3 |
1 |
300 |
32.3 |
0.1 |
0.449 |
0 |
0 |
0 |
0.000 |
Average: |
32.4 |
0.1 |
0.437 |
0 |
0 |
0 |
0.000 |
19 |
27 |
|
[ZN]B:103 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
1256 |
31.2 |
-14.3 |
0.000 |
0 |
0 |
0 |
0.617 |
28 |
|
[ZN]B:103 |
1 |
1 |
98 |
◊ |
A |
-x+y-1/3,-x-2/3,z+1/3 |
6_445 |
5 |
1 |
1252 |
30.8 |
-14.3 |
0.000 |
0 |
0 |
0 |
0.617 |
Average: |
31.0 |
-14.3 |
0.000 |
0 |
0 |
0 |
0.617 |
20 |
29 |
|
[EDO]A:103 |
3 |
1 |
183 |
◊ |
A |
-x+y-1/3,-x-2/3,z+1/3 |
6_445 |
2 |
1 |
1252 |
26.6 |
-0.1 |
0.504 |
0 |
0 |
0 |
0.001 |
21 |
30 |
|
B |
2 |
1 |
1256 |
◊ |
[EDO]B:104 |
-x+y-1/3,-x-2/3,z+1/3 |
6_445 |
3 |
1 |
185 |
26.5 |
-0.1 |
0.534 |
0 |
0 |
0 |
0.001 |
22 |
31 |
|
B |
4 |
2 |
1256 |
◊ |
[BGC]A:101 |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
2 |
1 |
294 |
25.4 |
0.4 |
0.412 |
1 |
0 |
0 |
0.000 |
32 |
|
[BGC]B:101 |
2 |
1 |
294 |
◊ |
A |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
4 |
2 |
1252 |
25.3 |
0.4 |
0.412 |
1 |
0 |
0 |
0.000 |
Average: |
25.3 |
0.4 |
0.412 |
1 |
0 |
0 |
0.001 |
23 |
33 |
|
A |
4 |
1 |
1252 |
◊ |
[EDO]A:103 |
-y,x-y,z |
2_555 |
2 |
1 |
183 |
24.5 |
0.7 |
0.865 |
1 |
0 |
0 |
0.000 |
24 |
34 |
|
[EDO]B:104 |
2 |
1 |
185 |
◊ |
B |
-y-1,x-y,z |
2_455 |
4 |
1 |
1256 |
24.4 |
0.7 |
0.861 |
1 |
0 |
0 |
0.000 |
25 |
35 |
|
[EDO]A:103 |
3 |
1 |
183 |
f |
[EDO]B:104 |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
3 |
1 |
185 |
17.7 |
0.9 |
1.000 |
0 |
0 |
0 |
0.000 |
26 |
36 |
|
A |
1 |
1 |
1252 |
◊ |
[BGC]B:101 |
-y,x-y,z |
2_555 |
1 |
1 |
294 |
9.8 |
0.1 |
0.264 |
0 |
0 |
0 |
0.000 |
37 |
|
[BGC]A:101 |
1 |
1 |
294 |
◊ |
B |
-y-1,x-y,z |
2_455 |
1 |
1 |
1256 |
9.8 |
0.1 |
0.432 |
0 |
0 |
0 |
0.000 |
Average: |
9.8 |
0.1 |
0.348 |
0 |
0 |
0 |
0.000 |
27 |
38 |
|
[ZN]B:103 |
1 |
1 |
98 |
f |
[EDO]B:104 |
-x+y-1/3,-x-2/3,z+1/3 |
6_445 |
1 |
1 |
185 |
7.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.065 |
28 |
39 |
|
[ZN]B:103 |
1 |
1 |
98 |
f |
[EDO]A:103 |
x,y,z |
1_555 |
1 |
1 |
183 |
7.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.066 |
29 |
40 |
|
[ZN]B:103 |
1 |
1 |
98 |
f |
[EDO]A:103 |
-y,x-y,z |
2_555 |
2 |
1 |
183 |
5.1 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.040 |
30 |
41 |
|
[ZN]B:103 |
1 |
1 |
98 |
f |
[EDO]B:104 |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
2 |
1 |
185 |
5.1 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.042 |
31 |
42 |
|
B |
1 |
1 |
1256 |
x |
B |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
1 |
1 |
1256 |
3.2 |
-0.0 |
0.586 |
0 |
0 |
0 |
0.000 |
43 |
|
A |
1 |
1 |
1252 |
x |
A |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
1 |
1 |
1252 |
3.2 |
-0.0 |
0.586 |
0 |
0 |
0 |
0.000 |
Average: |
3.2 |
-0.0 |
0.586 |
0 |
0 |
0 |
0.000 |
32 |
44 |
|
A |
2 |
1 |
1252 |
x |
A |
x+2/3,y+1/3,z+1/3 |
4_555 |
1 |
1 |
1252 |
2.7 |
-0.0 |
0.534 |
0 |
0 |
0 |
0.000 |
45 |
|
B |
1 |
1 |
1256 |
x |
B |
x+2/3,y+1/3,z+1/3 |
4_555 |
1 |
1 |
1256 |
2.5 |
-0.0 |
0.542 |
0 |
0 |
0 |
0.000 |
Average: |
2.6 |
-0.0 |
0.538 |
0 |
0 |
0 |
0.000 |
|