| ## |
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 |
|
D |
96 |
26 |
13699 |
◊ |
C |
x,y,z |
1_555 |
101 |
26 |
14038 |
925.2 |
-3.8 |
0.440 |
14 |
0 |
0 |
0.107 |
2 |
|
B |
86 |
26 |
14595 |
◊ |
A |
x,y,z |
1_555 |
85 |
24 |
14811 |
833.1 |
-2.2 |
0.540 |
14 |
0 |
0 |
0.107 |
| Average: |
879.2 |
-3.0 |
0.490 |
14 |
0 |
0 |
0.107 |
| 2 |
3 |
|
D |
71 |
17 |
13699 |
◊ |
A |
x,y,z |
1_555 |
51 |
12 |
14811 |
548.7 |
-1.2 |
0.476 |
8 |
5 |
0 |
0.000 |
| 3 |
4 |
|
C |
54 |
13 |
14038 |
◊ |
B |
x,y,z-1 |
1_554 |
41 |
11 |
14595 |
418.0 |
0.3 |
0.580 |
9 |
1 |
0 |
0.000 |
| 4 |
5 |
|
C |
42 |
13 |
14038 |
◊ |
B |
x,y,z |
1_555 |
35 |
11 |
14595 |
383.6 |
-2.9 |
0.295 |
4 |
4 |
0 |
0.000 |
| 5 |
6 |
|
B |
45 |
14 |
14595 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
42 |
14 |
13699 |
367.9 |
-0.7 |
0.438 |
4 |
0 |
0 |
0.000 |
| 6 |
7 |
|
D |
36 |
10 |
13699 |
◊ |
A |
x,y,z-1 |
1_554 |
40 |
12 |
14811 |
365.4 |
-3.1 |
0.322 |
0 |
3 |
0 |
0.000 |
| 7 |
8 |
|
A |
29 |
8 |
14811 |
x |
A |
x-1,y,z |
1_455 |
31 |
11 |
14811 |
299.8 |
-5.4 |
0.085 |
2 |
2 |
0 |
0.000 |
9 |
|
C |
29 |
11 |
14038 |
x |
C |
x-1,y,z |
1_455 |
28 |
6 |
14038 |
277.5 |
-5.6 |
0.044 |
1 |
1 |
0 |
0.000 |
| Average: |
288.7 |
-5.5 |
0.065 |
2 |
2 |
0 |
0.000 |
| 8 |
10 |
|
D |
24 |
6 |
13699 |
◊ |
B |
x,y,z-1 |
1_554 |
27 |
7 |
14595 |
218.0 |
1.4 |
0.686 |
3 |
4 |
0 |
0.000 |
| 9 |
11 |
|
C |
25 |
8 |
14038 |
◊ |
A |
x,y,z |
1_555 |
23 |
8 |
14811 |
214.7 |
2.7 |
0.787 |
3 |
4 |
0 |
0.000 |
| 10 |
12 |
|
B |
22 |
6 |
14595 |
◊ |
D |
-x+2,y-1/2,-z+1 |
2_746 |
21 |
9 |
13699 |
200.7 |
3.6 |
0.789 |
0 |
0 |
0 |
0.000 |
| 11 |
13 |
|
[MPD]A:403 |
7 |
1 |
280 |
f |
A |
x,y,z |
1_555 |
25 |
11 |
14811 |
170.6 |
-12.8 |
0.439 |
1 |
0 |
0 |
0.028 |
| 12 |
14 |
|
[MPD]B:403 |
7 |
1 |
280 |
f |
B |
x,y,z |
1_555 |
24 |
10 |
14595 |
164.5 |
-10.7 |
0.729 |
6 |
0 |
0 |
0.034 |
| 13 |
15 |
|
[MPD]A:402 |
7 |
1 |
279 |
f |
A |
x,y,z |
1_555 |
25 |
10 |
14811 |
164.2 |
-10.9 |
0.728 |
6 |
0 |
0 |
0.028 |
| 14 |
16 |
|
[MPD]C:404 |
7 |
1 |
282 |
f |
C |
x,y,z |
1_555 |
24 |
11 |
14038 |
154.6 |
-10.7 |
0.493 |
3 |
0 |
0 |
0.129 |
| 15 |
17 |
|
[MRD]C:405 |
7 |
1 |
278 |
f |
C |
x,y,z |
1_555 |
24 |
11 |
14038 |
147.5 |
1.9 |
0.310 |
1 |
0 |
0 |
0.000 |
| 16 |
18 |
|
B |
13 |
5 |
14595 |
x |
B |
x-1,y,z |
1_455 |
16 |
9 |
14595 |
121.1 |
0.7 |
0.697 |
2 |
4 |
0 |
0.000 |
| 17 |
19 |
|
[MRD]B:405 |
6 |
1 |
281 |
◊ |
B |
x,y,z |
1_555 |
14 |
7 |
14595 |
119.5 |
0.7 |
0.304 |
0 |
0 |
0 |
0.000 |
| 18 |
20 |
|
[MRD]C:406 |
7 |
1 |
277 |
f |
C |
x,y,z |
1_555 |
16 |
5 |
14038 |
118.9 |
3.6 |
0.555 |
0 |
0 |
0 |
0.000 |
| 19 |
21 |
|
[PO4]D:402 |
5 |
1 |
191 |
f |
D |
x,y,z |
1_555 |
22 |
9 |
13699 |
114.9 |
-8.6 |
0.723 |
10 |
0 |
0 |
0.140 |
| 20 |
22 |
|
[PO4]C:401 |
5 |
1 |
191 |
f |
C |
x,y,z |
1_555 |
21 |
9 |
14038 |
113.9 |
-8.7 |
0.708 |
12 |
0 |
0 |
0.150 |
| 21 |
23 |
|
[PO4]D:401 |
5 |
1 |
193 |
f |
D |
x,y,z |
1_555 |
19 |
6 |
13699 |
113.4 |
-7.5 |
0.705 |
3 |
0 |
0 |
0.095 |
| 22 |
24 |
|
[PO4]C:402 |
5 |
1 |
192 |
f |
C |
x,y,z |
1_555 |
19 |
6 |
14038 |
113.3 |
-6.9 |
0.755 |
4 |
0 |
0 |
0.093 |
| 23 |
25 |
|
[MPD]D:403 |
6 |
1 |
278 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
13699 |
113.2 |
-7.2 |
0.542 |
1 |
0 |
0 |
0.082 |
| 24 |
26 |
|
[PO4]A:401 |
5 |
1 |
191 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
14811 |
104.5 |
-7.4 |
0.746 |
8 |
0 |
0 |
0.023 |
| 25 |
27 |
|
[PO4]B:401 |
5 |
1 |
192 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
14595 |
103.3 |
-7.1 |
0.748 |
10 |
0 |
0 |
0.030 |
| 26 |
28 |
|
[PO4]B:402 |
5 |
1 |
192 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
14595 |
79.9 |
-4.7 |
0.741 |
4 |
0 |
0 |
0.017 |
| 27 |
29 |
|
[MPD]B:404 |
5 |
1 |
284 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
14595 |
75.4 |
-3.8 |
0.718 |
1 |
0 |
0 |
0.011 |
| 28 |
30 |
|
[MPD]D:404 |
6 |
1 |
281 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
13699 |
72.7 |
-3.5 |
0.838 |
2 |
0 |
0 |
0.047 |
| 29 |
31 |
|
[MPD]B:404 |
4 |
1 |
284 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
14038 |
68.9 |
-3.4 |
0.872 |
1 |
0 |
0 |
0.000 |
| 30 |
32 |
|
[MPD]D:404 |
4 |
1 |
281 |
◊ |
D |
x-1,y,z |
1_455 |
7 |
2 |
13699 |
67.3 |
-1.3 |
0.984 |
0 |
0 |
0 |
0.000 |
| 31 |
33 |
|
[PO4]C:403 |
5 |
1 |
191 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
14038 |
63.9 |
-2.0 |
0.963 |
0 |
0 |
0 |
0.022 |
| 32 |
34 |
|
[CL]C:407 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
13 |
4 |
14038 |
57.0 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.081 |
| 33 |
35 |
|
[CL]A:404 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
14811 |
56.2 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.015 |
| 34 |
36 |
|
B |
7 |
3 |
14595 |
◊ |
[PO4]B:402 |
x-1,y,z |
1_455 |
4 |
1 |
192 |
54.4 |
-1.9 |
0.935 |
2 |
0 |
0 |
0.000 |
| 35 |
37 |
|
[MRD]B:405 |
3 |
1 |
281 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
14811 |
44.3 |
0.2 |
0.208 |
0 |
0 |
0 |
0.000 |
| 36 |
38 |
|
[MRD]C:405 |
4 |
1 |
278 |
f |
[MPD]C:404 |
x,y,z |
1_555 |
4 |
1 |
282 |
42.9 |
-1.8 |
0.000 |
2 |
0 |
0 |
0.029 |
| 37 |
39 |
|
C |
6 |
2 |
14038 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
2 |
14811 |
40.7 |
0.0 |
0.587 |
0 |
0 |
0 |
0.000 |
| 38 |
40 |
|
A |
7 |
2 |
14811 |
◊ |
[MPD]A:403 |
x-1,y,z |
1_455 |
3 |
1 |
280 |
39.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 39 |
41 |
|
[MRD]C:405 |
3 |
1 |
278 |
◊ |
C |
x-1,y,z |
1_455 |
7 |
2 |
14038 |
37.0 |
0.2 |
0.363 |
0 |
0 |
0 |
0.000 |
| 40 |
42 |
|
[MPD]D:404 |
4 |
1 |
281 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
14038 |
36.1 |
-1.5 |
0.852 |
2 |
0 |
0 |
0.025 |
| 41 |
43 |
|
[MPD]C:404 |
4 |
1 |
282 |
◊ |
C |
x-1,y,z |
1_455 |
3 |
1 |
14038 |
35.1 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 42 |
44 |
|
[MPD]B:403 |
2 |
1 |
280 |
f |
[PO4]B:401 |
x,y,z |
1_555 |
3 |
1 |
192 |
31.4 |
-3.0 |
0.937 |
0 |
0 |
0 |
0.008 |
| 43 |
45 |
|
[PO4]C:403 |
4 |
1 |
191 |
f |
[PO4]C:402 |
x,y,z |
1_555 |
3 |
1 |
192 |
31.1 |
-3.0 |
0.982 |
0 |
0 |
0 |
0.032 |
| 44 |
46 |
|
[MPD]D:403 |
3 |
1 |
278 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
14038 |
29.5 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.023 |
| 45 |
47 |
|
[MPD]A:402 |
3 |
1 |
279 |
f |
[PO4]A:401 |
x,y,z |
1_555 |
4 |
1 |
191 |
26.3 |
-2.5 |
0.986 |
0 |
0 |
0 |
0.005 |
| 46 |
48 |
|
[PO4]C:403 |
1 |
1 |
191 |
◊ |
B |
x,y,z-1 |
1_554 |
2 |
1 |
14595 |
21.6 |
-0.4 |
0.875 |
1 |
0 |
0 |
0.000 |
| 47 |
49 |
|
[MRD]B:405 |
2 |
1 |
281 |
f |
[MPD]A:402 |
x,y,z |
1_555 |
1 |
1 |
279 |
20.8 |
-0.6 |
0.529 |
0 |
0 |
0 |
0.001 |
| 48 |
50 |
|
B |
2 |
2 |
14595 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
14811 |
11.9 |
0.4 |
0.841 |
0 |
0 |
0 |
0.000 |
| 49 |
51 |
|
C |
2 |
2 |
14038 |
◊ |
D |
x-1,y,z |
1_455 |
5 |
3 |
13699 |
10.6 |
0.3 |
0.732 |
0 |
0 |
0 |
0.000 |
| 50 |
52 |
|
D |
2 |
2 |
13699 |
◊ |
A |
x-1,y,z-1 |
1_454 |
2 |
2 |
14811 |
10.5 |
0.2 |
0.754 |
0 |
0 |
0 |
0.000 |
| 51 |
53 |
|
[PO4]B:402 |
3 |
1 |
192 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
14811 |
8.5 |
-0.4 |
0.830 |
0 |
0 |
0 |
0.000 |
| 52 |
54 |
|
C |
1 |
1 |
14038 |
◊ |
A |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
14811 |
2.4 |
-0.0 |
0.556 |
0 |
0 |
0 |
0.000 |
| 53 |
55 |
|
[CL]C:407 |
1 |
1 |
125 |
◊ |
B |
x,y,z-1 |
1_554 |
1 |
1 |
14595 |
2.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
|