## |
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 |
173 |
40 |
6650 |
◊ |
A |
x,y,z |
1_555 |
176 |
41 |
6820 |
1716.0 |
-20.8 |
0.245 |
30 |
8 |
0 |
0.712 |
2 |
|
D |
174 |
41 |
6654 |
◊ |
C |
x,y,z |
1_555 |
172 |
41 |
6462 |
1691.6 |
-21.8 |
0.282 |
32 |
8 |
0 |
0.712 |
Average: |
1703.8 |
-21.3 |
0.263 |
31 |
8 |
0 |
0.712 |
2 |
3 |
|
G |
47 |
10 |
1410 |
◊ |
D |
x,y,z |
1_555 |
54 |
19 |
6654 |
493.2 |
-3.7 |
0.579 |
12 |
0 |
0 |
0.450 |
4 |
|
F |
45 |
8 |
1079 |
◊ |
B |
x,y,z |
1_555 |
52 |
18 |
6650 |
455.4 |
-2.1 |
0.785 |
12 |
0 |
0 |
0.450 |
Average: |
474.3 |
-2.9 |
0.682 |
12 |
0 |
0 |
0.450 |
3 |
5 |
|
A |
43 |
15 |
6820 |
◊ |
B |
x-1,y,z |
1_455 |
41 |
13 |
6650 |
425.7 |
-4.9 |
0.403 |
1 |
0 |
0 |
0.018 |
4 |
6 |
|
G |
44 |
9 |
1410 |
◊ |
C |
x,y,z |
1_555 |
48 |
17 |
6462 |
419.8 |
-4.5 |
0.502 |
5 |
0 |
0 |
0.099 |
7 |
|
F |
41 |
8 |
1079 |
◊ |
A |
x,y,z |
1_555 |
50 |
17 |
6820 |
403.2 |
-3.5 |
0.627 |
5 |
0 |
0 |
0.099 |
Average: |
411.5 |
-4.0 |
0.564 |
5 |
0 |
0 |
0.099 |
5 |
8 |
|
C |
38 |
12 |
6462 |
◊ |
D |
x-1,y,z |
1_455 |
38 |
12 |
6654 |
352.2 |
-5.4 |
0.363 |
1 |
0 |
0 |
0.000 |
6 |
9 |
|
C |
28 |
8 |
6462 |
◊ |
D |
-x-1,y-1/2,-z-1 |
2_444 |
33 |
8 |
6654 |
270.1 |
-2.3 |
0.572 |
0 |
0 |
0 |
0.000 |
10 |
|
A |
30 |
8 |
6820 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
26 |
7 |
6650 |
239.7 |
-2.8 |
0.453 |
1 |
0 |
0 |
0.000 |
Average: |
254.9 |
-2.6 |
0.513 |
1 |
0 |
0 |
0.000 |
7 |
11 |
|
C |
31 |
7 |
6462 |
◊ |
A |
x,y,z |
1_555 |
30 |
10 |
6820 |
258.9 |
-4.1 |
0.374 |
1 |
0 |
0 |
0.000 |
8 |
12 |
|
C |
22 |
4 |
6462 |
◊ |
A |
x,y,z-1 |
1_554 |
28 |
8 |
6820 |
236.4 |
0.8 |
0.781 |
2 |
0 |
0 |
0.000 |
9 |
13 |
|
D |
30 |
10 |
6654 |
◊ |
B |
x,y,z |
1_555 |
18 |
4 |
6650 |
208.4 |
-0.8 |
0.694 |
2 |
0 |
0 |
0.000 |
10 |
14 |
|
C |
24 |
8 |
6462 |
◊ |
B |
x-1,y,z-1 |
1_454 |
20 |
8 |
6650 |
191.6 |
-2.5 |
0.494 |
1 |
1 |
0 |
0.000 |
11 |
15 |
|
A |
20 |
4 |
6820 |
x |
A |
-x-1,y-1/2,-z |
2_445 |
16 |
5 |
6820 |
165.7 |
-3.5 |
0.247 |
0 |
0 |
0 |
0.000 |
12 |
16 |
|
D |
20 |
6 |
6654 |
◊ |
B |
x,y,z-1 |
1_554 |
14 |
4 |
6650 |
161.9 |
-4.0 |
0.168 |
1 |
0 |
0 |
0.000 |
13 |
17 |
|
B |
22 |
7 |
6650 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
18 |
4 |
6820 |
159.9 |
-1.5 |
0.552 |
1 |
2 |
0 |
0.000 |
18 |
|
D |
18 |
4 |
6654 |
◊ |
C |
-x-1,y-1/2,-z-1 |
2_444 |
19 |
6 |
6462 |
148.3 |
-1.8 |
0.515 |
1 |
2 |
0 |
0.000 |
Average: |
154.1 |
-1.7 |
0.533 |
1 |
2 |
0 |
0.000 |
14 |
19 |
|
D |
15 |
8 |
6654 |
◊ |
A |
x,y,z-1 |
1_554 |
16 |
6 |
6820 |
139.9 |
-0.7 |
0.627 |
0 |
0 |
0 |
0.000 |
15 |
20 |
|
C |
12 |
5 |
6462 |
◊ |
B |
x-1,y,z |
1_455 |
14 |
7 |
6650 |
103.4 |
-1.9 |
0.415 |
0 |
0 |
0 |
0.000 |
16 |
21 |
|
D |
6 |
3 |
6654 |
x |
D |
-x,y-1/2,-z-1 |
2_544 |
12 |
3 |
6654 |
82.5 |
-1.8 |
0.272 |
0 |
0 |
0 |
0.000 |
17 |
22 |
|
[SO4]D:101 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
14 |
3 |
6654 |
77.0 |
-10.6 |
0.764 |
1 |
0 |
0 |
0.550 |
18 |
23 |
|
D |
5 |
1 |
6654 |
x |
D |
-x-1,y-1/2,-z-1 |
2_444 |
10 |
6 |
6654 |
75.8 |
-1.7 |
0.204 |
0 |
0 |
0 |
0.000 |
24 |
|
A |
12 |
5 |
6820 |
x |
A |
-x,y-1/2,-z |
2_545 |
5 |
1 |
6820 |
64.4 |
-1.7 |
0.205 |
0 |
0 |
0 |
0.000 |
Average: |
70.1 |
-1.7 |
0.205 |
0 |
0 |
0 |
0.000 |
19 |
25 |
|
G |
5 |
1 |
1410 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
6820 |
75.1 |
1.8 |
0.802 |
2 |
0 |
0 |
0.000 |
20 |
26 |
|
A |
10 |
4 |
6820 |
f |
[PO4]B:101 |
x-1,y,z |
1_455 |
5 |
1 |
188 |
74.1 |
-4.0 |
0.836 |
1 |
0 |
0 |
0.100 |
21 |
27 |
|
[SO4]B:102 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
6650 |
70.4 |
-10.3 |
0.644 |
1 |
0 |
0 |
0.589 |
22 |
28 |
|
G |
8 |
2 |
1410 |
◊ |
B |
x,y,z |
1_555 |
7 |
1 |
6650 |
67.6 |
-1.6 |
0.302 |
0 |
0 |
0 |
0.000 |
23 |
29 |
|
C |
13 |
7 |
6462 |
◊ |
G |
-x-1,y-1/2,-z-1 |
2_444 |
4 |
1 |
1410 |
63.8 |
-0.6 |
0.428 |
0 |
0 |
0 |
0.000 |
24 |
30 |
|
[PO4]B:101 |
4 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
6650 |
45.6 |
-2.6 |
0.771 |
0 |
0 |
0 |
0.009 |
25 |
31 |
|
C |
5 |
3 |
6462 |
◊ |
[PO4]B:101 |
x-1,y,z-1 |
1_454 |
3 |
1 |
188 |
41.3 |
-2.3 |
0.761 |
1 |
0 |
0 |
0.000 |
26 |
32 |
|
D |
5 |
3 |
6654 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
6820 |
41.2 |
-0.3 |
0.556 |
0 |
0 |
0 |
0.000 |
27 |
33 |
|
C |
4 |
3 |
6462 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
6650 |
35.5 |
-1.1 |
0.229 |
0 |
0 |
0 |
0.000 |
28 |
34 |
|
[SO4]D:101 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
6462 |
33.1 |
-3.5 |
0.928 |
1 |
0 |
0 |
0.076 |
29 |
35 |
|
F |
3 |
1 |
1079 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
3 |
1 |
6820 |
32.9 |
-1.1 |
0.274 |
0 |
0 |
0 |
0.000 |
30 |
36 |
|
C |
2 |
1 |
6462 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
2 |
1 |
6820 |
18.8 |
-0.4 |
0.387 |
0 |
0 |
0 |
0.000 |
31 |
37 |
|
D |
3 |
2 |
6654 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
3 |
2 |
6820 |
18.2 |
0.4 |
0.783 |
0 |
0 |
0 |
0.000 |
32 |
38 |
|
[SO4]B:102 |
1 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
6820 |
17.5 |
-2.0 |
0.799 |
0 |
0 |
0 |
0.039 |
33 |
39 |
|
D |
3 |
1 |
6654 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
6650 |
12.6 |
-0.3 |
0.347 |
0 |
0 |
0 |
0.000 |
34 |
40 |
|
D |
1 |
1 |
6654 |
◊ |
G |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
1410 |
5.2 |
-0.0 |
0.513 |
0 |
0 |
0 |
0.000 |
35 |
41 |
|
F |
1 |
1 |
1079 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
1 |
1 |
6650 |
3.0 |
-0.0 |
0.618 |
0 |
0 |
0 |
0.000 |
|