## |
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 |
108 |
33 |
20806 |
◊ |
A |
x,y,z |
1_555 |
99 |
26 |
20508 |
954.0 |
-5.4 |
0.540 |
11 |
3 |
0 |
0.000 |
2 |
2 |
|
B |
63 |
17 |
20806 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
78 |
26 |
20508 |
684.9 |
-4.6 |
0.533 |
9 |
4 |
0 |
0.000 |
3 |
3 |
|
B |
74 |
22 |
20806 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
68 |
21 |
20508 |
629.2 |
0.1 |
0.834 |
8 |
0 |
0 |
0.000 |
4 |
4 |
|
B |
64 |
18 |
20806 |
◊ |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
68 |
18 |
20508 |
604.0 |
-1.8 |
0.717 |
9 |
5 |
0 |
0.000 |
5 |
5 |
|
[AKG]A:4000 |
10 |
1 |
289 |
f |
A |
x,y,z |
1_555 |
32 |
13 |
20508 |
157.3 |
0.9 |
0.556 |
7 |
0 |
0 |
0.078 |
6 |
|
[AKG]B:4000 |
10 |
1 |
288 |
f |
B |
x,y,z |
1_555 |
34 |
14 |
20806 |
155.9 |
1.0 |
0.554 |
7 |
0 |
0 |
0.078 |
Average: |
156.6 |
0.9 |
0.555 |
7 |
0 |
0 |
0.078 |
6 |
7 |
|
A |
15 |
6 |
20508 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
15 |
5 |
20508 |
129.8 |
-1.8 |
0.332 |
1 |
0 |
0 |
0.000 |
7 |
8 |
|
[EDO]B:2345 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
20806 |
107.8 |
2.9 |
0.469 |
3 |
0 |
0 |
0.000 |
8 |
9 |
|
[EDO]A:2346 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
20508 |
107.5 |
4.0 |
0.705 |
4 |
0 |
0 |
0.000 |
9 |
10 |
|
[EDO]A:2350 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
20508 |
107.2 |
3.0 |
0.379 |
2 |
0 |
0 |
0.000 |
10 |
11 |
|
[EDO]B:2347 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
21 |
10 |
20806 |
106.5 |
2.9 |
0.441 |
1 |
0 |
0 |
0.000 |
11 |
12 |
|
[EDO]B:2349 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
20806 |
106.3 |
2.9 |
0.377 |
2 |
0 |
0 |
0.000 |
12 |
13 |
|
[EDO]A:2348 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
21 |
6 |
20508 |
104.4 |
2.5 |
0.407 |
0 |
0 |
0 |
0.000 |
13 |
14 |
|
[EDO]A:2345 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
20508 |
103.7 |
2.5 |
0.449 |
3 |
0 |
0 |
0.000 |
14 |
15 |
|
[EDO]B:2346 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
22 |
6 |
20806 |
103.0 |
2.7 |
0.410 |
0 |
0 |
0 |
0.000 |
15 |
16 |
|
[EDO]B:2348 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
16 |
8 |
20806 |
102.9 |
2.7 |
0.408 |
1 |
0 |
0 |
0.000 |
16 |
17 |
|
[EDO]A:2349 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
20508 |
100.1 |
2.5 |
0.413 |
0 |
0 |
0 |
0.000 |
17 |
18 |
|
[EDO]A:2347 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
20508 |
97.2 |
2.0 |
0.440 |
1 |
0 |
0 |
0.000 |
18 |
19 |
|
[EDO]A:2351 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
10 |
20508 |
97.1 |
3.8 |
0.555 |
2 |
0 |
0 |
0.000 |
19 |
20 |
|
[EDO]B:2350 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
19 |
10 |
20806 |
95.8 |
3.7 |
0.550 |
3 |
0 |
0 |
0.000 |
20 |
21 |
|
[EDO]A:2352 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
20508 |
95.2 |
3.1 |
0.509 |
0 |
0 |
0 |
0.000 |
21 |
22 |
|
[FE]B:4001 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
20806 |
52.7 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.296 |
23 |
|
[FE]A:4001 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
20508 |
52.6 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.296 |
Average: |
52.6 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.296 |
22 |
24 |
|
[EDO]B:2348 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
20508 |
51.8 |
1.5 |
0.918 |
2 |
0 |
0 |
0.000 |
23 |
25 |
|
B |
6 |
3 |
20806 |
f |
[EDO]A:2352 |
-x-1,y-1/2,-z+1/2 |
3_445 |
4 |
1 |
183 |
47.7 |
1.4 |
0.884 |
1 |
0 |
0 |
0.000 |
24 |
26 |
|
[FE]A:4001 |
1 |
1 |
137 |
f |
[AKG]A:4000 |
x,y,z |
1_555 |
4 |
1 |
289 |
38.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.176 |
27 |
|
[FE]B:4001 |
1 |
1 |
137 |
f |
[AKG]B:4000 |
x,y,z |
1_555 |
4 |
1 |
288 |
38.6 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.176 |
Average: |
38.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.176 |
25 |
28 |
|
[EDO]A:2348 |
3 |
1 |
184 |
f |
[EDO]A:2347 |
x,y,z |
1_555 |
2 |
1 |
185 |
38.1 |
1.4 |
1.000 |
0 |
0 |
0 |
0.000 |
26 |
29 |
|
[EDO]B:2347 |
2 |
1 |
185 |
f |
[EDO]B:2346 |
x,y,z |
1_555 |
3 |
1 |
183 |
38.0 |
1.3 |
1.000 |
2 |
0 |
0 |
0.000 |
27 |
30 |
|
[AKG]B:4000 |
6 |
1 |
288 |
f |
[EDO]B:2350 |
x,y,z |
1_555 |
2 |
1 |
185 |
28.6 |
1.1 |
0.658 |
0 |
0 |
0 |
0.000 |
28 |
31 |
|
[EDO]A:2349 |
2 |
1 |
184 |
f |
[EDO]A:2347 |
x,y,z |
1_555 |
3 |
1 |
185 |
26.3 |
0.9 |
1.000 |
1 |
0 |
0 |
0.000 |
29 |
32 |
|
[AKG]A:4000 |
6 |
1 |
289 |
f |
[EDO]A:2351 |
x,y,z |
1_555 |
2 |
1 |
185 |
25.3 |
0.9 |
0.658 |
1 |
0 |
0 |
0.000 |
30 |
33 |
|
B |
2 |
1 |
20806 |
x |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
2 |
1 |
20806 |
17.9 |
0.3 |
0.697 |
0 |
0 |
0 |
0.000 |
31 |
34 |
|
[FE]B:4001 |
1 |
1 |
137 |
f |
[EDO]B:2350 |
x,y,z |
1_555 |
2 |
1 |
185 |
16.8 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.044 |
35 |
|
[FE]A:4001 |
1 |
1 |
137 |
f |
[EDO]A:2351 |
x,y,z |
1_555 |
2 |
1 |
185 |
15.9 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.044 |
Average: |
16.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.044 |
|