## |
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 |
|
D |
45 |
12 |
5211 |
◊ |
C |
x,y,z |
1_555 |
49 |
12 |
5286 |
387.7 |
-4.2 |
0.242 |
3 |
0 |
0 |
0.119 |
2 |
|
B |
44 |
12 |
5096 |
◊ |
A |
x,y,z |
1_555 |
45 |
11 |
5439 |
368.6 |
-4.2 |
0.254 |
1 |
0 |
0 |
0.119 |
Average: |
378.1 |
-4.2 |
0.248 |
2 |
0 |
0 |
0.119 |
2 |
3 |
|
B |
37 |
10 |
5096 |
◊ |
D |
-y-1,x-y,z+1/3 |
2_455 |
34 |
9 |
5211 |
316.2 |
1.1 |
0.708 |
1 |
4 |
0 |
0.000 |
4 |
|
A |
33 |
8 |
5439 |
◊ |
C |
-y,x-y,z+1/3 |
2_555 |
31 |
11 |
5286 |
308.8 |
1.7 |
0.710 |
4 |
5 |
0 |
0.000 |
5 |
|
C |
35 |
9 |
5286 |
◊ |
A |
x,y,z |
1_555 |
35 |
11 |
5439 |
297.5 |
-0.7 |
0.573 |
1 |
2 |
0 |
0.000 |
6 |
|
B |
31 |
9 |
5096 |
◊ |
D |
x,y-1,z |
1_545 |
34 |
11 |
5211 |
284.9 |
1.0 |
0.702 |
1 |
4 |
0 |
0.000 |
Average: |
301.9 |
0.8 |
0.673 |
2 |
4 |
0 |
0.000 |
3 |
7 |
|
A |
19 |
5 |
5439 |
◊ |
B |
-y-1,x-y,z+1/3 |
2_455 |
18 |
5 |
5096 |
206.3 |
0.3 |
0.664 |
1 |
0 |
0 |
0.000 |
8 |
|
C |
19 |
5 |
5286 |
◊ |
D |
-y,x-y+1,z+1/3 |
2_565 |
17 |
4 |
5211 |
159.0 |
-0.6 |
0.530 |
2 |
0 |
0 |
0.000 |
Average: |
182.7 |
-0.2 |
0.597 |
2 |
0 |
0 |
0.000 |
4 |
9 |
|
[03M]D:1 |
23 |
1 |
603 |
◊ |
C |
x,y,z |
1_555 |
30 |
12 |
5286 |
203.8 |
-0.0 |
0.367 |
0 |
0 |
0 |
0.012 |
10 |
|
[03M]A:1 |
22 |
1 |
599 |
◊ |
B |
x,y,z |
1_555 |
25 |
10 |
5096 |
201.4 |
-0.2 |
0.291 |
0 |
0 |
0 |
0.012 |
11 |
|
[03M]B:1 |
21 |
1 |
601 |
◊ |
A |
x,y,z |
1_555 |
27 |
12 |
5439 |
198.9 |
-0.4 |
0.324 |
0 |
0 |
0 |
0.012 |
12 |
|
[03M]C:1 |
23 |
1 |
595 |
◊ |
D |
x,y,z |
1_555 |
24 |
10 |
5211 |
185.2 |
0.4 |
0.348 |
0 |
0 |
0 |
0.012 |
Average: |
197.3 |
-0.1 |
0.332 |
0 |
0 |
0 |
0.012 |
5 |
13 |
|
[03M]C:1 |
21 |
1 |
595 |
f |
C |
x,y,z |
1_555 |
30 |
9 |
5286 |
194.6 |
-5.2 |
0.344 |
2 |
0 |
0 |
0.286 |
14 |
|
[03M]D:1 |
20 |
1 |
603 |
f |
D |
x,y,z |
1_555 |
29 |
8 |
5211 |
194.4 |
-5.4 |
0.313 |
4 |
0 |
0 |
0.286 |
15 |
|
[03M]B:1 |
20 |
1 |
601 |
f |
B |
x,y,z |
1_555 |
26 |
8 |
5096 |
194.1 |
-5.3 |
0.333 |
3 |
0 |
0 |
0.286 |
16 |
|
[03M]A:1 |
21 |
1 |
599 |
f |
A |
x,y,z |
1_555 |
29 |
9 |
5439 |
193.7 |
-4.9 |
0.362 |
2 |
0 |
0 |
0.286 |
Average: |
194.2 |
-5.2 |
0.338 |
3 |
0 |
0 |
0.286 |
6 |
17 |
|
D |
20 |
7 |
5211 |
◊ |
C |
-y-1,x-y,z+1/3 |
2_455 |
17 |
5 |
5286 |
150.9 |
-0.3 |
0.584 |
3 |
0 |
0 |
0.000 |
18 |
|
B |
20 |
6 |
5096 |
◊ |
A |
-y-1,x-y-1,z+1/3 |
2_445 |
17 |
5 |
5439 |
145.4 |
-0.4 |
0.597 |
0 |
0 |
0 |
0.000 |
Average: |
148.2 |
-0.3 |
0.590 |
2 |
0 |
0 |
0.000 |
7 |
19 |
|
[03M]B:1 |
25 |
1 |
601 |
◊ |
[03M]A:1 |
x,y,z |
1_555 |
24 |
1 |
599 |
134.4 |
-5.1 |
0.460 |
0 |
0 |
0 |
0.110 |
20 |
|
[03M]D:1 |
23 |
1 |
603 |
◊ |
[03M]C:1 |
x,y,z |
1_555 |
24 |
1 |
595 |
127.8 |
-4.2 |
0.467 |
0 |
0 |
0 |
0.110 |
Average: |
131.1 |
-4.6 |
0.463 |
0 |
0 |
0 |
0.110 |
8 |
21 |
|
[SO4]D:2 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
5211 |
77.6 |
-12.0 |
0.745 |
3 |
0 |
0 |
0.287 |
9 |
22 |
|
[SO4]A:112 |
5 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
5439 |
74.8 |
-9.8 |
0.877 |
4 |
0 |
0 |
0.252 |
10 |
23 |
|
[SO4]A:112 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
5096 |
69.6 |
-10.3 |
0.720 |
3 |
0 |
0 |
0.254 |
11 |
24 |
|
[SO4]D:2 |
4 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
5286 |
65.8 |
-9.9 |
0.691 |
1 |
0 |
0 |
0.224 |
12 |
25 |
|
C |
2 |
2 |
5286 |
◊ |
B |
-y-1,x-y,z+1/3 |
2_455 |
2 |
2 |
5096 |
22.7 |
-0.1 |
0.503 |
0 |
0 |
0 |
0.000 |
26 |
|
D |
3 |
3 |
5211 |
◊ |
A |
-y-1,x-y,z-2/3 |
2_454 |
6 |
3 |
5439 |
18.1 |
-0.1 |
0.599 |
0 |
0 |
0 |
0.000 |
Average: |
20.4 |
-0.1 |
0.551 |
0 |
0 |
0 |
0.000 |
|