## |
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 |
399 |
99 |
23522 |
◊ |
A |
x,y,z |
1_555 |
407 |
98 |
24172 |
3776.5 |
-30.1 |
0.121 |
45 |
10 |
0 |
0.170 |
2 |
2 |
|
A |
102 |
29 |
24172 |
◊ |
A |
-x-1,y,-z |
2_455 |
101 |
29 |
24172 |
912.2 |
-10.1 |
0.184 |
8 |
8 |
0 |
0.047 |
3 |
3 |
|
B |
63 |
20 |
23522 |
◊ |
B |
-x-1,y,-z |
2_455 |
62 |
20 |
23522 |
552.5 |
-3.4 |
0.453 |
6 |
6 |
0 |
0.011 |
4 |
4 |
|
B |
44 |
13 |
23522 |
◊ |
A |
-x-1/2,y-1/2,-z |
4_445 |
31 |
9 |
24172 |
343.3 |
-4.6 |
0.173 |
3 |
0 |
0 |
0.000 |
5 |
|
B |
29 |
9 |
23522 |
◊ |
A |
-x-1/2,y-1/2,-z+1 |
4_446 |
43 |
13 |
24172 |
339.5 |
-4.6 |
0.176 |
4 |
0 |
0 |
0.000 |
Average: |
341.4 |
-4.6 |
0.175 |
4 |
0 |
0 |
0.000 |
5 |
6 |
|
[53O]B:609 |
17 |
1 |
413 |
f |
B |
x,y,z |
1_555 |
22 |
8 |
23522 |
184.3 |
-3.6 |
0.658 |
0 |
0 |
0 |
0.012 |
6 |
7 |
|
[53O]A:612 |
13 |
1 |
413 |
◊ |
B |
x,y,z |
1_555 |
23 |
9 |
23522 |
179.0 |
-2.6 |
0.772 |
0 |
0 |
0 |
0.009 |
7 |
8 |
|
[53O]B:609 |
10 |
1 |
413 |
◊ |
A |
x,y,z |
1_555 |
21 |
8 |
24172 |
163.5 |
-1.8 |
0.814 |
0 |
0 |
0 |
0.006 |
8 |
9 |
|
[53O]A:612 |
17 |
1 |
413 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
24172 |
159.4 |
-3.3 |
0.622 |
0 |
0 |
0 |
0.021 |
9 |
10 |
|
[SO4]A:605 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
24 |
9 |
24172 |
121.8 |
-18.8 |
0.688 |
1 |
0 |
0 |
0.123 |
10 |
11 |
|
[GOL]A:601 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
24172 |
117.7 |
-0.7 |
0.504 |
4 |
0 |
0 |
0.016 |
11 |
12 |
|
[GOL]B:601 |
6 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
22 |
8 |
23522 |
116.3 |
-0.5 |
0.551 |
2 |
0 |
0 |
0.004 |
12 |
13 |
|
[SO4]A:608 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
24172 |
113.9 |
-17.4 |
0.701 |
1 |
0 |
0 |
0.114 |
13 |
14 |
|
[GOL]A:602 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
24172 |
111.8 |
-0.0 |
0.596 |
2 |
0 |
0 |
0.006 |
14 |
15 |
|
[GOL]B:602 |
6 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
18 |
5 |
23522 |
109.4 |
0.0 |
0.639 |
4 |
0 |
0 |
0.006 |
15 |
16 |
|
[SO4]A:607 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
24172 |
106.0 |
-15.0 |
0.758 |
0 |
0 |
0 |
0.095 |
16 |
17 |
|
[SO4]B:605 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
23522 |
105.4 |
-16.2 |
0.759 |
1 |
0 |
0 |
0.055 |
17 |
18 |
|
[SO4]B:603 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
23522 |
100.8 |
-17.8 |
0.689 |
6 |
0 |
0 |
0.068 |
18 |
19 |
|
[SO4]A:603 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
24172 |
100.6 |
-17.8 |
0.692 |
6 |
0 |
0 |
0.131 |
19 |
20 |
|
[SO4]A:609 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
24172 |
95.5 |
-13.8 |
0.596 |
0 |
0 |
0 |
0.088 |
20 |
21 |
|
[SO4]B:606 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
23522 |
90.2 |
-13.0 |
0.733 |
0 |
0 |
0 |
0.043 |
21 |
22 |
|
[SO4]A:606 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
24172 |
90.1 |
-13.2 |
0.527 |
0 |
0 |
0 |
0.084 |
22 |
23 |
|
[SO4]B:604 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
23522 |
88.1 |
-13.0 |
0.856 |
3 |
0 |
0 |
0.047 |
23 |
24 |
|
[SO4]A:604 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
24172 |
86.0 |
-12.2 |
0.844 |
2 |
0 |
0 |
0.083 |
24 |
25 |
|
[GOL]B:602 |
6 |
1 |
214 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
24172 |
81.7 |
-0.9 |
0.422 |
0 |
0 |
0 |
0.003 |
25 |
26 |
|
[GOL]A:602 |
5 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
23522 |
81.2 |
-0.3 |
0.513 |
1 |
0 |
0 |
0.002 |
26 |
27 |
|
[SO4]A:606 |
5 |
1 |
187 |
◊ |
A |
-x-1,y,-z |
2_455 |
10 |
5 |
24172 |
59.1 |
-8.2 |
0.729 |
3 |
0 |
0 |
0.061 |
27 |
28 |
|
[MG]A:611 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
24172 |
58.2 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.048 |
28 |
29 |
|
[GOL]A:601 |
5 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
23522 |
53.4 |
-0.2 |
0.538 |
2 |
0 |
0 |
0.004 |
29 |
30 |
|
[GOL]B:601 |
6 |
1 |
215 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
24172 |
51.4 |
-0.3 |
0.558 |
1 |
0 |
0 |
0.003 |
30 |
31 |
|
[MG]B:608 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
23522 |
46.5 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.020 |
31 |
32 |
|
[MG]B:607 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
23522 |
45.5 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.047 |
33 |
|
[MG]A:610 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
24172 |
45.3 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.047 |
Average: |
45.4 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.047 |
32 |
34 |
|
[SO4]B:604 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
24172 |
43.6 |
-2.8 |
0.986 |
1 |
0 |
0 |
0.011 |
33 |
35 |
|
[SO4]A:604 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
23522 |
33.7 |
-3.5 |
0.881 |
1 |
0 |
0 |
0.013 |
34 |
36 |
|
[MG]B:607 |
1 |
1 |
98 |
f |
[SO4]B:603 |
x,y,z |
1_555 |
3 |
1 |
186 |
27.5 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.020 |
35 |
37 |
|
[MG]A:610 |
1 |
1 |
98 |
f |
[SO4]A:603 |
x,y,z |
1_555 |
2 |
1 |
185 |
26.5 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.037 |
36 |
38 |
|
[SO4]A:609 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
23522 |
25.4 |
-3.6 |
0.579 |
0 |
0 |
0 |
0.012 |
37 |
39 |
|
[SO4]B:606 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
24172 |
25.0 |
-2.9 |
0.678 |
0 |
0 |
0 |
0.009 |
|