## |
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 |
258 |
79 |
14818 |
◊ |
A |
x,y,z |
1_555 |
266 |
76 |
14281 |
2689.9 |
-22.4 |
0.238 |
39 |
4 |
0 |
0.348 |
2 |
|
D |
265 |
79 |
14364 |
◊ |
C |
x,y,z |
1_555 |
259 |
76 |
14293 |
2663.6 |
-20.2 |
0.425 |
39 |
4 |
0 |
0.348 |
Average: |
2676.7 |
-21.3 |
0.332 |
39 |
4 |
0 |
0.348 |
2 |
3 |
|
D |
59 |
14 |
14364 |
◊ |
B |
x,y,z |
1_555 |
61 |
14 |
14818 |
534.5 |
-5.3 |
0.370 |
7 |
8 |
0 |
0.077 |
4 |
|
C |
53 |
14 |
14293 |
◊ |
A |
x,y,z |
1_555 |
59 |
14 |
14281 |
502.9 |
-5.9 |
0.323 |
6 |
7 |
0 |
0.077 |
Average: |
518.7 |
-5.6 |
0.347 |
7 |
8 |
0 |
0.077 |
3 |
5 |
|
D |
35 |
13 |
14364 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
50 |
15 |
14818 |
388.1 |
-0.1 |
0.717 |
3 |
4 |
0 |
0.000 |
4 |
6 |
|
A |
47 |
15 |
14281 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
49 |
15 |
14293 |
381.4 |
-0.9 |
0.702 |
3 |
2 |
0 |
0.000 |
5 |
7 |
|
B |
44 |
15 |
14818 |
x |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
43 |
13 |
14818 |
380.1 |
-1.2 |
0.613 |
7 |
0 |
0 |
0.000 |
6 |
8 |
|
[PGA]A:372 |
9 |
1 |
290 |
f |
A |
x,y,z |
1_555 |
25 |
14 |
14281 |
174.7 |
-3.8 |
0.726 |
11 |
0 |
0 |
0.146 |
9 |
|
[PGA]B:372 |
9 |
1 |
288 |
f |
B |
x,y,z |
1_555 |
25 |
14 |
14818 |
173.9 |
-3.8 |
0.659 |
10 |
0 |
0 |
0.146 |
10 |
|
[PGA]C:372 |
9 |
1 |
287 |
f |
C |
x,y,z |
1_555 |
25 |
13 |
14293 |
172.7 |
-3.6 |
0.731 |
11 |
0 |
0 |
0.146 |
Average: |
173.8 |
-3.7 |
0.705 |
11 |
0 |
0 |
0.146 |
7 |
11 |
|
[PGA]D:372 |
9 |
1 |
288 |
f |
D |
x,y,z |
1_555 |
25 |
13 |
14364 |
174.3 |
-3.6 |
0.706 |
10 |
0 |
0 |
0.070 |
8 |
12 |
|
[SO4]D:4373 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
14364 |
99.3 |
-12.4 |
0.919 |
4 |
0 |
0 |
0.123 |
9 |
13 |
|
B |
12 |
6 |
14818 |
x |
B |
x,y-1,z |
1_545 |
13 |
5 |
14818 |
98.1 |
0.1 |
0.663 |
1 |
0 |
0 |
0.000 |
10 |
14 |
|
[SO4]C:3373 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
16 |
8 |
14293 |
92.7 |
-11.0 |
0.934 |
4 |
0 |
0 |
0.111 |
11 |
15 |
|
[SO4]A:1373 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
14281 |
90.0 |
-10.9 |
0.927 |
3 |
0 |
0 |
0.105 |
12 |
16 |
|
[SO4]B:2373 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
14818 |
88.9 |
-10.5 |
0.921 |
3 |
0 |
0 |
0.102 |
13 |
17 |
|
[SO4]C:3374 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
14293 |
70.5 |
-10.8 |
0.660 |
2 |
0 |
0 |
0.101 |
14 |
18 |
|
[SO4]B:2374 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
14818 |
69.6 |
-10.9 |
0.648 |
2 |
0 |
0 |
0.102 |
15 |
19 |
|
[SO4]A:1374 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
14281 |
68.7 |
-10.6 |
0.651 |
3 |
0 |
0 |
0.103 |
16 |
20 |
|
[SO4]D:4374 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
14364 |
68.6 |
-10.5 |
0.686 |
2 |
0 |
0 |
0.098 |
17 |
21 |
|
A |
4 |
2 |
14281 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
5 |
2 |
14364 |
55.2 |
0.9 |
0.862 |
0 |
1 |
0 |
0.000 |
18 |
22 |
|
D |
6 |
1 |
14364 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
14281 |
54.7 |
-0.3 |
0.562 |
0 |
0 |
0 |
0.002 |
23 |
|
C |
6 |
1 |
14293 |
◊ |
B |
x,y,z |
1_555 |
6 |
1 |
14818 |
53.7 |
-0.3 |
0.564 |
0 |
0 |
0 |
0.002 |
Average: |
54.2 |
-0.3 |
0.563 |
0 |
0 |
0 |
0.002 |
19 |
24 |
|
[MN]D:371 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
7 |
5 |
14364 |
52.0 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.078 |
25 |
|
[MN]B:371 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
14818 |
51.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.078 |
26 |
|
[MN]A:371 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
14281 |
51.0 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.078 |
27 |
|
[MN]C:371 |
1 |
1 |
123 |
cf |
C |
x,y,z |
1_555 |
6 |
4 |
14293 |
50.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.078 |
Average: |
51.4 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.078 |
20 |
28 |
|
D |
6 |
4 |
14364 |
x |
D |
x,y-1,z |
1_545 |
9 |
3 |
14364 |
47.0 |
-0.1 |
0.625 |
0 |
0 |
0 |
0.000 |
21 |
29 |
|
[MN]B:371 |
1 |
1 |
123 |
f |
[PGA]B:372 |
x,y,z |
1_555 |
3 |
1 |
288 |
31.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.017 |
30 |
|
[MN]C:371 |
1 |
1 |
123 |
f |
[PGA]C:372 |
x,y,z |
1_555 |
3 |
1 |
287 |
31.8 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.017 |
31 |
|
[MN]A:371 |
1 |
1 |
123 |
f |
[PGA]A:372 |
x,y,z |
1_555 |
3 |
1 |
290 |
31.3 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.017 |
32 |
|
[MN]D:371 |
1 |
1 |
123 |
f |
[PGA]D:372 |
x,y,z |
1_555 |
3 |
1 |
288 |
30.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.017 |
Average: |
31.3 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.017 |
22 |
33 |
|
C |
2 |
1 |
14293 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
14281 |
26.8 |
0.9 |
0.893 |
1 |
1 |
0 |
0.000 |
23 |
34 |
|
B |
5 |
3 |
14818 |
◊ |
D |
-x+1,y-1,-z+1 |
2_646 |
5 |
4 |
14364 |
17.9 |
0.1 |
0.652 |
0 |
0 |
0 |
0.000 |
24 |
35 |
|
[SO4]A:1374 |
1 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
14818 |
0.8 |
-0.1 |
0.738 |
0 |
0 |
0 |
0.001 |
|