## |
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 |
86 |
26 |
15500 |
◊ |
B |
-x,-x+y,-z-1/3 |
6_554 |
85 |
26 |
15500 |
742.7 |
3.0 |
0.840 |
3 |
16 |
0 |
0.003 |
2 |
2 |
|
B |
63 |
14 |
15500 |
◊ |
A |
-y,x-y-1,z-1/3 |
2_544 |
70 |
23 |
15485 |
584.5 |
-1.2 |
0.586 |
2 |
1 |
0 |
0.010 |
3 |
3 |
|
B |
61 |
19 |
15500 |
◊ |
A |
x,y,z |
1_555 |
65 |
19 |
15485 |
541.2 |
-7.3 |
0.135 |
2 |
0 |
0 |
0.034 |
4 |
4 |
|
B |
52 |
19 |
15500 |
◊ |
A |
y,x-1,-z |
4_545 |
52 |
13 |
15485 |
432.8 |
-1.7 |
0.430 |
0 |
1 |
0 |
0.008 |
5 |
5 |
|
B |
32 |
9 |
15500 |
◊ |
A |
y+1,x-1,-z |
4_645 |
40 |
10 |
15485 |
389.8 |
-1.9 |
0.405 |
2 |
1 |
0 |
0.000 |
6 |
6 |
|
B |
28 |
6 |
15500 |
◊ |
A |
x-y-1,-y-1,-z+1/3 |
5_445 |
24 |
7 |
15485 |
240.6 |
-0.9 |
0.519 |
0 |
0 |
0 |
0.000 |
7 |
7 |
|
A |
26 |
8 |
15485 |
x |
A |
x-y-1,-y-1,-z+1/3 |
5_445 |
26 |
7 |
15485 |
231.7 |
0.3 |
0.625 |
0 |
0 |
0 |
0.000 |
8 |
8 |
|
B |
15 |
4 |
15500 |
◊ |
B |
y+1,x-1,-z |
4_645 |
15 |
4 |
15500 |
139.1 |
-2.2 |
0.237 |
0 |
2 |
0 |
0.000 |
9 |
9 |
|
[SO4]A:502 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
15485 |
102.0 |
-15.8 |
0.832 |
4 |
0 |
0 |
0.074 |
10 |
10 |
|
[SO4]A:501 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
15485 |
98.3 |
-14.4 |
0.713 |
1 |
0 |
0 |
0.063 |
11 |
11 |
|
[SO4]A:503 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
15485 |
89.1 |
-12.1 |
0.855 |
1 |
0 |
0 |
0.053 |
12 |
12 |
|
[SO4]B:502 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
15500 |
88.0 |
-13.0 |
0.687 |
3 |
0 |
0 |
0.108 |
13 |
13 |
|
[SO4]B:501 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
15500 |
80.5 |
-11.0 |
0.697 |
3 |
0 |
0 |
0.093 |
14 |
14 |
|
[MG]B:512 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
9 |
15500 |
66.9 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.072 |
15 |
15 |
|
[MG]B:513 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
15500 |
63.7 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.070 |
16 |
16 |
|
[MG]A:507 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
15485 |
61.8 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.039 |
17 |
17 |
|
[MG]A:504 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
15485 |
59.5 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.029 |
18 |
18 |
|
[MG]B:511 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
8 |
15500 |
57.5 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.054 |
19 |
19 |
|
[MG]A:509 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
15485 |
56.4 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.039 |
20 |
20 |
|
[MG]B:503 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
15500 |
53.9 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.068 |
21 |
21 |
|
[MG]A:510 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
15485 |
53.8 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.038 |
22 |
22 |
|
[MG]B:504 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
15500 |
50.2 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.073 |
23 |
23 |
|
[MG]B:509 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
15500 |
49.0 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.073 |
24 |
24 |
|
[MG]B:514 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
15500 |
48.9 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.055 |
25 |
25 |
|
[SO4]B:501 |
4 |
1 |
185 |
◊ |
B |
-x,-x+y,-z-1/3 |
6_554 |
6 |
3 |
15500 |
47.5 |
-5.3 |
0.851 |
0 |
0 |
0 |
0.040 |
26 |
26 |
|
[MG]B:510 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
15500 |
47.4 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.050 |
27 |
27 |
|
[MG]B:506 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
15500 |
43.7 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.054 |
28 |
28 |
|
[MG]A:511 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
15485 |
42.1 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.022 |
29 |
29 |
|
[MG]A:505 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
2 |
15485 |
41.9 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.044 |
30 |
|
[MG]B:507 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
2 |
15500 |
38.6 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.044 |
Average: |
40.3 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.044 |
30 |
31 |
|
[MG]B:505 |
1 |
1 |
98 |
f |
B |
-x,-x+y,-z-1/3 |
6_554 |
9 |
4 |
15500 |
41.2 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.045 |
31 |
32 |
|
[MG]A:508 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
15485 |
40.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.020 |
32 |
33 |
|
[MG]B:507 |
1 |
1 |
98 |
◊ |
A |
y,x-1,-z |
4_545 |
5 |
3 |
15485 |
26.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.011 |
33 |
34 |
|
[MG]B:506 |
1 |
1 |
98 |
f |
[SO4]B:501 |
x,y,z |
1_555 |
4 |
1 |
185 |
23.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.037 |
34 |
35 |
|
[MG]B:505 |
1 |
1 |
98 |
◊ |
[SO4]B:501 |
x,y,z |
1_555 |
4 |
1 |
185 |
22.5 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.034 |
35 |
36 |
|
[SO4]B:502 |
4 |
1 |
185 |
◊ |
B |
-x,-x+y,-z-1/3 |
6_554 |
5 |
2 |
15500 |
17.3 |
-2.0 |
0.805 |
0 |
0 |
0 |
0.015 |
36 |
37 |
|
[MG]B:514 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
15485 |
15.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.008 |
37 |
38 |
|
[MG]B:505 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
15500 |
14.6 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.010 |
38 |
39 |
|
B |
2 |
1 |
15500 |
◊ |
[MG]A:505 |
-y,x-y-1,z-1/3 |
2_544 |
1 |
1 |
98 |
11.4 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.006 |
39 |
40 |
|
B |
2 |
1 |
15500 |
◊ |
[MG]A:505 |
y,x-1,-z |
4_545 |
1 |
1 |
98 |
10.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.004 |
40 |
41 |
|
[MG]B:513 |
1 |
1 |
98 |
f |
[MG]B:512 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.1 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.008 |
41 |
42 |
|
B |
1 |
1 |
15500 |
x |
B |
y,x-1,-z |
4_545 |
1 |
1 |
15500 |
5.1 |
-0.0 |
0.509 |
0 |
0 |
0 |
0.000 |
42 |
43 |
|
[MG]A:507 |
1 |
1 |
98 |
f |
[SO4]A:501 |
x,y,z |
1_555 |
1 |
1 |
185 |
3.3 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.003 |
43 |
44 |
|
A |
1 |
1 |
15485 |
x |
A |
-y,x-y-1,z-1/3 |
2_544 |
1 |
1 |
15485 |
2.3 |
0.1 |
0.756 |
0 |
0 |
0 |
0.000 |
|