## |
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 |
290 |
76 |
21390 |
◊ |
A |
x,y,z |
1_555 |
291 |
77 |
21437 |
2941.5 |
-34.2 |
0.011 |
37 |
13 |
0 |
0.378 |
2 |
2 |
|
B |
59 |
17 |
21390 |
◊ |
B |
-x,-y,z |
2_555 |
59 |
17 |
21390 |
564.8 |
-2.9 |
0.439 |
10 |
0 |
0 |
0.051 |
3 |
|
A |
55 |
17 |
21437 |
◊ |
A |
-x,-y,z |
2_555 |
54 |
17 |
21437 |
550.2 |
-3.5 |
0.374 |
10 |
0 |
0 |
0.051 |
Average: |
557.5 |
-3.2 |
0.407 |
10 |
0 |
0 |
0.051 |
3 |
4 |
|
B |
51 |
14 |
21390 |
◊ |
A |
x-1/2,-y+1/2,-z+2 |
4_457 |
41 |
15 |
21437 |
388.9 |
1.9 |
0.775 |
5 |
5 |
0 |
0.000 |
5 |
|
B |
43 |
15 |
21390 |
◊ |
A |
x-1/2,-y+1/2,-z+3 |
4_458 |
42 |
12 |
21437 |
377.8 |
1.5 |
0.769 |
7 |
3 |
0 |
0.000 |
Average: |
383.4 |
1.7 |
0.772 |
6 |
4 |
0 |
0.000 |
4 |
6 |
|
[ADP]B:602 |
27 |
1 |
545 |
f |
B |
x,y,z |
1_555 |
59 |
21 |
21390 |
357.4 |
-5.3 |
0.586 |
9 |
0 |
0 |
0.145 |
7 |
|
[ADP]A:602 |
26 |
1 |
547 |
f |
A |
x,y,z |
1_555 |
55 |
21 |
21437 |
353.2 |
-4.6 |
0.662 |
14 |
0 |
0 |
0.145 |
Average: |
355.3 |
-5.0 |
0.624 |
12 |
0 |
0 |
0.145 |
5 |
8 |
|
A |
40 |
17 |
21437 |
x |
A |
x,y,z-1 |
1_554 |
34 |
9 |
21437 |
337.9 |
3.3 |
0.887 |
4 |
2 |
0 |
0.000 |
9 |
|
B |
30 |
8 |
21390 |
x |
B |
x,y,z-1 |
1_554 |
40 |
16 |
21390 |
328.2 |
3.9 |
0.888 |
7 |
3 |
0 |
0.000 |
Average: |
333.1 |
3.6 |
0.887 |
6 |
3 |
0 |
0.000 |
6 |
10 |
|
B |
36 |
11 |
21390 |
◊ |
A |
x-1,y,z |
1_455 |
33 |
12 |
21437 |
257.1 |
-0.6 |
0.586 |
1 |
0 |
0 |
0.000 |
7 |
11 |
|
[TOE]B:605 |
11 |
1 |
369 |
f |
B |
x,y,z |
1_555 |
26 |
9 |
21390 |
165.8 |
-2.4 |
0.757 |
0 |
0 |
0 |
0.017 |
8 |
12 |
|
B |
25 |
10 |
21390 |
◊ |
[TOE]A:606 |
x-1/2,-y+1/2,-z+3 |
4_458 |
10 |
1 |
378 |
161.9 |
-1.0 |
0.908 |
1 |
0 |
0 |
0.000 |
9 |
13 |
|
[TOE]A:605 |
10 |
1 |
376 |
f |
A |
x,y,z |
1_555 |
23 |
8 |
21437 |
144.8 |
-2.5 |
0.802 |
0 |
0 |
0 |
0.018 |
10 |
14 |
|
[XPO]B:603 |
7 |
1 |
237 |
f |
B |
x,y,z |
1_555 |
30 |
13 |
21390 |
140.5 |
0.4 |
0.590 |
4 |
0 |
0 |
0.010 |
11 |
15 |
|
[XPO]A:603 |
7 |
1 |
238 |
f |
A |
x,y,z |
1_555 |
25 |
12 |
21437 |
134.5 |
0.7 |
0.612 |
4 |
0 |
0 |
0.008 |
12 |
16 |
|
B |
18 |
8 |
21390 |
◊ |
A |
x-1,y,z-1 |
1_454 |
15 |
8 |
21437 |
131.3 |
0.9 |
0.745 |
0 |
0 |
0 |
0.000 |
13 |
17 |
|
A |
9 |
3 |
21437 |
◊ |
B |
x,y,z-1 |
1_554 |
9 |
3 |
21390 |
119.2 |
-1.3 |
0.308 |
0 |
0 |
0 |
0.000 |
14 |
18 |
|
[TOE]A:606 |
6 |
1 |
378 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
21437 |
94.9 |
-1.5 |
0.793 |
0 |
0 |
0 |
0.010 |
15 |
19 |
|
[SO4]A:601 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
21437 |
74.4 |
-10.5 |
0.878 |
5 |
0 |
0 |
0.091 |
16 |
20 |
|
[SO4]B:601 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
21390 |
73.4 |
-10.2 |
0.882 |
6 |
0 |
0 |
0.092 |
17 |
21 |
|
[XPO]A:603 |
6 |
1 |
238 |
f |
[ADP]A:602 |
x,y,z |
1_555 |
4 |
1 |
547 |
46.8 |
-2.2 |
0.352 |
0 |
0 |
0 |
0.016 |
18 |
22 |
|
[XPO]B:603 |
6 |
1 |
237 |
f |
[ADP]B:602 |
x,y,z |
1_555 |
4 |
1 |
545 |
45.4 |
-2.8 |
0.247 |
0 |
0 |
0 |
0.020 |
19 |
23 |
|
[TOE]A:605 |
5 |
1 |
376 |
◊ |
A |
-x,-y,z |
2_555 |
6 |
2 |
21437 |
44.6 |
-0.9 |
0.578 |
0 |
0 |
0 |
0.006 |
20 |
24 |
|
[MG]B:604 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
21390 |
41.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.068 |
25 |
|
[MG]A:604 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
21437 |
38.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.068 |
Average: |
39.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.068 |
21 |
26 |
|
B |
8 |
5 |
21390 |
◊ |
A |
-x,-y,z |
2_555 |
5 |
5 |
21437 |
39.2 |
-0.7 |
0.387 |
0 |
0 |
0 |
0.005 |
22 |
27 |
|
[TOE]B:605 |
4 |
1 |
369 |
◊ |
B |
-x,-y,z |
2_555 |
6 |
2 |
21390 |
36.4 |
-1.3 |
0.565 |
0 |
0 |
0 |
0.009 |
23 |
28 |
|
B |
5 |
3 |
21390 |
◊ |
A |
x,y,z-1 |
1_554 |
6 |
4 |
21437 |
30.1 |
-0.1 |
0.605 |
0 |
0 |
0 |
0.000 |
24 |
29 |
|
[MG]A:604 |
1 |
1 |
98 |
f |
[ADP]A:602 |
x,y,z |
1_555 |
4 |
1 |
547 |
28.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.056 |
30 |
|
[MG]B:604 |
1 |
1 |
98 |
f |
[ADP]B:602 |
x,y,z |
1_555 |
4 |
1 |
545 |
26.6 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.056 |
Average: |
27.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.056 |
25 |
31 |
|
[SO4]B:601 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
21437 |
24.2 |
-2.7 |
0.869 |
0 |
0 |
0 |
0.019 |
26 |
32 |
|
[MG]A:604 |
1 |
1 |
98 |
f |
[XPO]A:603 |
x,y,z |
1_555 |
4 |
1 |
238 |
23.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.013 |
27 |
33 |
|
[MG]B:604 |
1 |
1 |
98 |
f |
[XPO]B:603 |
x,y,z |
1_555 |
2 |
1 |
237 |
23.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.020 |
28 |
34 |
|
A |
3 |
1 |
21437 |
◊ |
B |
-x,-y,z-1 |
2_554 |
4 |
1 |
21390 |
22.6 |
-0.3 |
0.440 |
0 |
0 |
0 |
0.000 |
29 |
35 |
|
[SO4]A:601 |
2 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
21390 |
22.4 |
-2.5 |
0.861 |
0 |
0 |
0 |
0.018 |
|