## |
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 |
411 |
104 |
14187 |
◊ |
A |
x,y,z |
1_555 |
415 |
106 |
14385 |
3823.0 |
-50.2 |
0.026 |
32 |
12 |
0 |
0.660 |
2 |
|
D |
391 |
97 |
14131 |
◊ |
C |
x,y,z |
1_555 |
404 |
98 |
13765 |
3680.9 |
-50.7 |
0.018 |
35 |
13 |
0 |
0.660 |
Average: |
3752.0 |
-50.5 |
0.022 |
34 |
13 |
0 |
0.660 |
2 |
3 |
|
C |
72 |
20 |
13765 |
◊ |
B |
x,y,z |
1_555 |
71 |
18 |
14187 |
627.5 |
-7.6 |
0.205 |
3 |
2 |
0 |
0.076 |
4 |
|
D |
66 |
20 |
14131 |
◊ |
A |
x,y,z |
1_555 |
63 |
18 |
14385 |
569.5 |
-4.5 |
0.336 |
6 |
4 |
0 |
0.076 |
Average: |
598.5 |
-6.0 |
0.270 |
5 |
3 |
0 |
0.076 |
3 |
5 |
|
C |
53 |
20 |
13765 |
◊ |
A |
x,y,z |
1_555 |
58 |
20 |
14385 |
498.7 |
2.8 |
0.849 |
5 |
2 |
0 |
0.003 |
6 |
|
D |
44 |
13 |
14131 |
◊ |
B |
x,y,z |
1_555 |
51 |
17 |
14187 |
424.0 |
0.8 |
0.668 |
3 |
3 |
0 |
0.003 |
Average: |
461.4 |
1.8 |
0.758 |
4 |
3 |
0 |
0.003 |
4 |
7 |
|
B |
33 |
10 |
14187 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
33 |
11 |
13765 |
280.8 |
1.8 |
0.758 |
3 |
0 |
0 |
0.000 |
8 |
|
D |
31 |
11 |
14131 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
31 |
8 |
14385 |
259.1 |
2.2 |
0.800 |
1 |
0 |
0 |
0.000 |
Average: |
270.0 |
2.0 |
0.779 |
2 |
0 |
0 |
0.000 |
5 |
9 |
|
B |
22 |
8 |
14187 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
24 |
5 |
14385 |
253.0 |
-0.2 |
0.660 |
5 |
0 |
0 |
0.000 |
10 |
|
B |
17 |
4 |
14187 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
21 |
8 |
14385 |
202.9 |
0.6 |
0.741 |
2 |
0 |
0 |
0.000 |
Average: |
227.9 |
0.2 |
0.701 |
4 |
0 |
0 |
0.000 |
6 |
11 |
|
C |
27 |
7 |
13765 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
23 |
7 |
14385 |
236.7 |
-0.7 |
0.611 |
4 |
0 |
0 |
0.000 |
12 |
|
B |
26 |
8 |
14187 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
25 |
7 |
14131 |
232.2 |
-0.3 |
0.666 |
3 |
0 |
0 |
0.000 |
Average: |
234.5 |
-0.5 |
0.638 |
4 |
0 |
0 |
0.000 |
7 |
13 |
|
D |
14 |
4 |
14131 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
27 |
12 |
14385 |
226.3 |
0.3 |
0.685 |
0 |
0 |
0 |
0.000 |
8 |
14 |
|
B |
24 |
10 |
14187 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
29 |
5 |
13765 |
222.7 |
1.0 |
0.753 |
1 |
0 |
0 |
0.000 |
9 |
15 |
|
C |
24 |
7 |
13765 |
◊ |
C |
-x,y,-z |
2_555 |
24 |
7 |
13765 |
214.6 |
-1.5 |
0.495 |
0 |
0 |
0 |
0.000 |
10 |
16 |
|
C |
24 |
7 |
13765 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
20 |
5 |
14187 |
203.8 |
0.4 |
0.673 |
3 |
3 |
0 |
0.000 |
11 |
17 |
|
A |
25 |
8 |
14385 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
23 |
5 |
14385 |
200.0 |
-0.8 |
0.594 |
2 |
0 |
0 |
0.000 |
18 |
|
B |
23 |
6 |
14187 |
x |
B |
-x+1/2,y-1/2,-z |
4_545 |
25 |
8 |
14187 |
197.4 |
-0.8 |
0.601 |
3 |
0 |
0 |
0.000 |
Average: |
198.7 |
-0.8 |
0.597 |
3 |
0 |
0 |
0.000 |
12 |
19 |
|
D |
20 |
8 |
14131 |
◊ |
C |
-x,y,-z |
2_555 |
20 |
8 |
13765 |
176.5 |
-1.0 |
0.473 |
0 |
2 |
0 |
0.000 |
13 |
20 |
|
C |
19 |
5 |
13765 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
18 |
5 |
14385 |
158.3 |
-0.4 |
0.643 |
2 |
0 |
0 |
0.000 |
14 |
21 |
|
C |
14 |
5 |
13765 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
14 |
4 |
14385 |
112.5 |
1.0 |
0.682 |
1 |
0 |
0 |
0.000 |
15 |
22 |
|
[PO4]B:303 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
17 |
11 |
14187 |
101.8 |
-7.6 |
0.710 |
7 |
0 |
0 |
0.105 |
16 |
23 |
|
[PO4]A:503 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
16 |
11 |
14385 |
100.8 |
-7.4 |
0.710 |
7 |
0 |
0 |
0.103 |
17 |
24 |
|
[PO4]C:503 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
14 |
11 |
13765 |
100.7 |
-7.4 |
0.709 |
6 |
0 |
0 |
0.098 |
18 |
25 |
|
[PO4]D:604 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
17 |
11 |
14131 |
100.2 |
-7.3 |
0.707 |
7 |
0 |
0 |
0.101 |
19 |
26 |
|
[IOD]B:301 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
14385 |
73.4 |
0.1 |
0.792 |
0 |
0 |
0 |
0.001 |
27 |
|
[IOD]A:504 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
14187 |
73.2 |
0.1 |
0.802 |
0 |
0 |
0 |
0.001 |
28 |
|
[IOD]C:502 |
1 |
1 |
144 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
13765 |
71.9 |
0.0 |
0.776 |
0 |
0 |
0 |
0.001 |
29 |
|
[IOD]D:603 |
1 |
1 |
144 |
f |
D |
x,y,z |
1_555 |
15 |
5 |
14131 |
69.7 |
-0.1 |
0.756 |
0 |
0 |
0 |
0.001 |
Average: |
72.1 |
0.0 |
0.782 |
0 |
0 |
0 |
0.001 |
20 |
30 |
|
[IOD]D:601 |
1 |
1 |
144 |
◊ |
D |
x,y,z |
1_555 |
16 |
6 |
14131 |
61.9 |
-0.2 |
0.755 |
0 |
0 |
0 |
0.000 |
31 |
|
[IOD]A:502 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
14385 |
61.1 |
-0.1 |
0.769 |
0 |
0 |
0 |
0.000 |
32 |
|
[IOD]D:601 |
1 |
1 |
144 |
◊ |
C |
x,y,z |
1_555 |
17 |
6 |
13765 |
60.6 |
-0.2 |
0.771 |
0 |
0 |
0 |
0.000 |
33 |
|
[IOD]A:502 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
14187 |
59.6 |
-0.1 |
0.770 |
0 |
0 |
0 |
0.000 |
Average: |
60.8 |
-0.1 |
0.766 |
0 |
0 |
0 |
0.000 |
21 |
34 |
|
D |
5 |
3 |
14131 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
6 |
3 |
14385 |
59.9 |
0.9 |
0.688 |
2 |
2 |
0 |
0.000 |
22 |
35 |
|
[MN]D:602 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
9 |
6 |
14131 |
51.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.090 |
36 |
|
[MN]C:501 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
13765 |
51.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.090 |
37 |
|
[MN]A:501 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
14385 |
51.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.090 |
38 |
|
[MN]B:302 |
1 |
1 |
123 |
cf |
B |
x,y,z |
1_555 |
7 |
5 |
14187 |
49.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.090 |
Average: |
51.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.090 |
23 |
39 |
|
[IOD]D:603 |
1 |
1 |
144 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
13765 |
38.4 |
0.4 |
0.928 |
0 |
0 |
0 |
0.000 |
40 |
|
[IOD]B:301 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
14187 |
37.4 |
0.4 |
0.910 |
0 |
0 |
0 |
0.000 |
41 |
|
[IOD]C:502 |
1 |
1 |
144 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
14131 |
35.8 |
0.6 |
0.942 |
0 |
0 |
0 |
0.000 |
42 |
|
[IOD]A:504 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
14385 |
31.6 |
0.3 |
0.886 |
0 |
0 |
0 |
0.000 |
Average: |
35.8 |
0.4 |
0.917 |
0 |
0 |
0 |
0.000 |
24 |
43 |
|
[PO4]D:604 |
4 |
1 |
188 |
cf |
[MN]D:602 |
x,y,z |
1_555 |
1 |
1 |
123 |
33.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.032 |
25 |
44 |
|
[PO4]C:503 |
4 |
1 |
188 |
f |
[MN]C:501 |
x,y,z |
1_555 |
1 |
1 |
123 |
32.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.031 |
26 |
45 |
|
D |
6 |
3 |
14131 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
2 |
1 |
14187 |
32.8 |
1.2 |
0.768 |
0 |
0 |
0 |
0.000 |
27 |
46 |
|
[PO4]A:503 |
4 |
1 |
188 |
f |
[MN]A:501 |
x,y,z |
1_555 |
1 |
1 |
123 |
32.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.031 |
28 |
47 |
|
[PO4]B:303 |
4 |
1 |
188 |
f |
[MN]B:302 |
x,y,z |
1_555 |
1 |
1 |
123 |
32.0 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.031 |
29 |
48 |
|
[IOD]B:301 |
1 |
1 |
144 |
◊ |
[IOD]A:504 |
x,y,z |
1_555 |
1 |
1 |
144 |
18.6 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
30 |
49 |
|
[IOD]D:603 |
1 |
1 |
144 |
◊ |
[IOD]C:502 |
x,y,z |
1_555 |
1 |
1 |
144 |
13.8 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
31 |
50 |
|
D |
2 |
2 |
14131 |
◊ |
D |
-x,y,-z |
2_555 |
2 |
2 |
14131 |
8.9 |
0.4 |
0.813 |
0 |
0 |
0 |
0.000 |
|