## |
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 |
487 |
117 |
19460 |
◊ |
A |
x,y,z |
1_555 |
492 |
119 |
19512 |
4653.0 |
-46.8 |
0.017 |
47 |
13 |
0 |
0.791 |
2 |
|
C |
488 |
118 |
19544 |
◊ |
B |
x,y,z |
1_555 |
492 |
121 |
19542 |
4581.5 |
-45.2 |
0.027 |
54 |
28 |
0 |
0.791 |
Average: |
4617.3 |
-46.0 |
0.022 |
51 |
21 |
0 |
0.791 |
2 |
3 |
|
C |
158 |
46 |
19544 |
◊ |
A |
x,y,z |
1_555 |
156 |
45 |
19512 |
1545.9 |
-6.2 |
0.491 |
26 |
13 |
0 |
0.409 |
4 |
|
D |
153 |
45 |
19460 |
◊ |
B |
x,y,z |
1_555 |
154 |
44 |
19542 |
1457.5 |
-6.0 |
0.484 |
24 |
15 |
0 |
0.409 |
Average: |
1501.7 |
-6.1 |
0.488 |
25 |
14 |
0 |
0.409 |
3 |
5 |
|
B |
155 |
38 |
19542 |
◊ |
A |
x,y,z |
1_555 |
159 |
40 |
19512 |
1472.7 |
-8.7 |
0.314 |
14 |
8 |
0 |
0.247 |
6 |
|
D |
153 |
38 |
19460 |
◊ |
C |
x,y,z |
1_555 |
155 |
40 |
19544 |
1403.1 |
-4.1 |
0.595 |
13 |
6 |
0 |
0.247 |
Average: |
1437.9 |
-6.4 |
0.455 |
14 |
7 |
0 |
0.247 |
4 |
7 |
|
D |
46 |
21 |
19460 |
◊ |
D |
-x+1,y,-z |
2_655 |
46 |
21 |
19460 |
394.7 |
1.5 |
0.788 |
0 |
0 |
0 |
0.000 |
5 |
8 |
|
D |
50 |
17 |
19460 |
◊ |
A |
-x+1,y,-z |
2_655 |
43 |
14 |
19512 |
387.1 |
3.1 |
0.781 |
5 |
7 |
0 |
0.000 |
6 |
9 |
|
C |
55 |
16 |
19544 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
37 |
12 |
19542 |
386.8 |
3.0 |
0.864 |
5 |
1 |
0 |
0.000 |
7 |
10 |
|
B |
25 |
6 |
19542 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
24 |
6 |
19542 |
164.9 |
0.2 |
0.663 |
0 |
0 |
0 |
0.000 |
8 |
11 |
|
B |
10 |
2 |
19542 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
15 |
5 |
19460 |
124.7 |
0.8 |
0.641 |
1 |
1 |
0 |
0.000 |
9 |
12 |
|
C |
14 |
7 |
19544 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
14 |
7 |
19544 |
120.6 |
0.5 |
0.714 |
2 |
0 |
0 |
0.000 |
10 |
13 |
|
[MPD]B:405 |
6 |
1 |
280 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
19542 |
114.2 |
-4.7 |
0.911 |
2 |
0 |
0 |
0.086 |
11 |
14 |
|
[SO4]B:404 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
19542 |
81.9 |
-11.0 |
0.794 |
3 |
0 |
0 |
0.189 |
12 |
15 |
|
B |
11 |
3 |
19542 |
◊ |
C |
-x+3/2,y-1/2,-z+1 |
4_646 |
11 |
5 |
19544 |
81.1 |
-0.2 |
0.547 |
0 |
0 |
0 |
0.000 |
13 |
16 |
|
B |
11 |
6 |
19542 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
10 |
3 |
19512 |
77.1 |
-1.7 |
0.252 |
0 |
0 |
0 |
0.000 |
14 |
17 |
|
D |
6 |
3 |
19460 |
◊ |
A |
x,y-1,z |
1_545 |
16 |
6 |
19512 |
71.6 |
0.3 |
0.651 |
1 |
0 |
0 |
0.000 |
15 |
18 |
|
A |
8 |
3 |
19512 |
◊ |
A |
-x+1,y,-z |
2_655 |
8 |
3 |
19512 |
69.8 |
0.1 |
0.646 |
0 |
0 |
0 |
0.000 |
16 |
19 |
|
[SO4]B:403 |
5 |
1 |
184 |
f |
C |
-x+1,y,-z+1 |
2_656 |
10 |
5 |
19544 |
68.5 |
-9.1 |
0.710 |
2 |
0 |
0 |
0.208 |
17 |
20 |
|
A |
10 |
5 |
19512 |
x |
A |
x-1/2,y+1/2,z |
3_455 |
8 |
3 |
19512 |
63.6 |
1.4 |
0.838 |
0 |
0 |
0 |
0.000 |
18 |
21 |
|
[MG]B:402 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
19542 |
53.9 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.161 |
19 |
22 |
|
[MG]C:401 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
8 |
19544 |
53.4 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.383 |
23 |
|
[MG]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
19512 |
52.4 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.383 |
24 |
|
[MG]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
19542 |
51.9 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.383 |
25 |
|
[MG]D:401 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
5 |
19460 |
50.7 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.383 |
Average: |
52.1 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.383 |
20 |
26 |
|
D |
2 |
1 |
19460 |
x |
D |
-x+1/2,y-1/2,-z |
4_545 |
6 |
2 |
19460 |
47.8 |
-0.6 |
0.130 |
0 |
0 |
0 |
0.000 |
21 |
27 |
|
C |
7 |
3 |
19544 |
x |
C |
x-1/2,y+1/2,z |
3_455 |
10 |
4 |
19544 |
45.4 |
1.4 |
0.828 |
0 |
0 |
0 |
0.000 |
22 |
28 |
|
[SO4]B:403 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
19542 |
38.6 |
-3.5 |
0.978 |
1 |
0 |
0 |
0.003 |
23 |
29 |
|
[SO4]B:403 |
3 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
19544 |
26.3 |
-3.4 |
0.769 |
0 |
0 |
0 |
0.002 |
24 |
30 |
|
C |
4 |
2 |
19544 |
x |
C |
-x+3/2,y-1/2,-z+1 |
4_646 |
5 |
2 |
19544 |
25.6 |
0.1 |
0.655 |
0 |
0 |
0 |
0.000 |
25 |
31 |
|
[MPD]B:405 |
1 |
1 |
280 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
3 |
1 |
19544 |
19.6 |
-0.7 |
0.829 |
0 |
0 |
0 |
0.000 |
26 |
32 |
|
[SO4]B:403 |
2 |
1 |
184 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
19542 |
16.7 |
-1.7 |
0.935 |
0 |
0 |
0 |
0.012 |
27 |
33 |
|
[MG]C:401 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
19460 |
10.2 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.014 |
34 |
|
[MG]B:401 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
19512 |
5.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.014 |
35 |
|
[MG]A:401 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
19542 |
2.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.014 |
Average: |
5.9 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.014 |
28 |
36 |
|
[SO4]B:404 |
2 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
19512 |
7.5 |
-1.0 |
0.686 |
0 |
0 |
0 |
0.016 |
29 |
37 |
|
D |
2 |
2 |
19460 |
x |
D |
x-1/2,y+1/2,z |
3_455 |
2 |
2 |
19460 |
1.8 |
-0.0 |
0.602 |
0 |
0 |
0 |
0.000 |
30 |
38 |
|
[MPD]B:405 |
1 |
1 |
280 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
19544 |
0.9 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|