## |
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 |
253 |
79 |
16011 |
◊ |
A |
x,y,z |
1_555 |
246 |
78 |
16096 |
2368.1 |
-19.9 |
0.106 |
29 |
14 |
0 |
0.227 |
2 |
2 |
|
B |
41 |
14 |
16011 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
56 |
16 |
16011 |
489.7 |
4.7 |
0.911 |
11 |
9 |
0 |
0.000 |
3 |
|
A |
60 |
17 |
16096 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
46 |
14 |
16096 |
488.7 |
3.6 |
0.845 |
5 |
9 |
0 |
0.000 |
Average: |
489.2 |
4.1 |
0.878 |
8 |
9 |
0 |
0.000 |
3 |
4 |
|
B |
42 |
13 |
16011 |
◊ |
A |
x-1,y,z |
1_455 |
42 |
11 |
16096 |
328.9 |
-2.5 |
0.387 |
3 |
0 |
0 |
0.000 |
4 |
5 |
|
[PGE]B:412 |
10 |
1 |
331 |
◊ |
A |
x,y,z |
1_555 |
22 |
10 |
16096 |
164.1 |
3.9 |
0.236 |
3 |
0 |
0 |
0.000 |
5 |
6 |
|
[PGE]B:413 |
10 |
1 |
320 |
f |
B |
x,y,z |
1_555 |
23 |
10 |
16011 |
161.8 |
3.7 |
0.244 |
6 |
0 |
0 |
0.000 |
6 |
7 |
|
[PGR]B:411 |
5 |
1 |
210 |
f |
B |
x,y,z |
1_555 |
19 |
12 |
16011 |
132.9 |
3.8 |
0.478 |
1 |
0 |
0 |
0.000 |
7 |
8 |
|
[PGR]A:408 |
5 |
1 |
209 |
f |
A |
x,y,z |
1_555 |
18 |
12 |
16096 |
129.1 |
3.7 |
0.431 |
1 |
0 |
0 |
0.000 |
8 |
9 |
|
[MPO]B:409 |
11 |
1 |
351 |
◊ |
B |
x,y,z |
1_555 |
21 |
6 |
16011 |
127.6 |
2.9 |
0.125 |
0 |
0 |
0 |
0.000 |
9 |
10 |
|
[PGE]B:413 |
8 |
1 |
320 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
16096 |
107.6 |
2.0 |
0.180 |
0 |
0 |
0 |
0.000 |
10 |
11 |
|
[PO4]A:404 |
5 |
1 |
190 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
16096 |
98.4 |
-6.1 |
0.717 |
1 |
0 |
0 |
0.042 |
11 |
12 |
|
[MXE]B:410 |
5 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
16011 |
90.1 |
2.6 |
0.197 |
0 |
0 |
0 |
0.000 |
12 |
13 |
|
[PO4]B:403 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
16011 |
85.3 |
-5.8 |
0.563 |
0 |
0 |
0 |
0.140 |
13 |
14 |
|
[PO4]A:403 |
5 |
1 |
190 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
16096 |
84.1 |
-5.7 |
0.573 |
0 |
0 |
0 |
0.037 |
14 |
15 |
|
[PGE]B:412 |
9 |
1 |
331 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
16011 |
82.3 |
2.1 |
0.147 |
0 |
0 |
0 |
0.000 |
15 |
16 |
|
[PO4]B:404 |
5 |
1 |
190 |
f |
A |
x-1,y,z |
1_455 |
12 |
7 |
16096 |
66.7 |
-4.0 |
0.644 |
1 |
0 |
0 |
0.029 |
16 |
17 |
|
[PO4]B:401 |
5 |
1 |
190 |
◊ |
B |
x,y,z |
1_555 |
13 |
8 |
16011 |
56.8 |
-2.2 |
0.934 |
4 |
0 |
0 |
0.026 |
17 |
18 |
|
[PO4]A:401 |
5 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
13 |
8 |
16096 |
56.6 |
-2.2 |
0.932 |
4 |
0 |
0 |
0.026 |
18 |
19 |
|
[PO4]A:402 |
5 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
10 |
6 |
16011 |
55.8 |
-2.7 |
0.807 |
3 |
0 |
0 |
0.026 |
19 |
20 |
|
[PO4]B:402 |
5 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
9 |
6 |
16096 |
54.7 |
-2.8 |
0.784 |
3 |
0 |
0 |
0.027 |
20 |
21 |
|
[PO4]B:402 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
16011 |
53.4 |
-1.5 |
0.946 |
6 |
0 |
0 |
0.100 |
21 |
22 |
|
[PO4]A:402 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
16096 |
53.1 |
-1.5 |
0.946 |
6 |
0 |
0 |
0.027 |
22 |
23 |
|
[MPO]B:409 |
6 |
1 |
351 |
f |
A |
x-1,y,z |
1_455 |
10 |
4 |
16096 |
50.6 |
0.6 |
0.124 |
0 |
0 |
0 |
0.000 |
23 |
24 |
|
[PO4]A:403 |
4 |
1 |
190 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
16011 |
48.3 |
-3.0 |
0.584 |
0 |
0 |
0 |
0.019 |
24 |
25 |
|
[PO4]B:403 |
4 |
1 |
189 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
16096 |
46.7 |
-2.8 |
0.599 |
0 |
0 |
0 |
0.018 |
25 |
26 |
|
[MG]B:407 |
1 |
1 |
98 |
f |
A |
x-1,y,z |
1_455 |
14 |
6 |
16096 |
43.4 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.032 |
26 |
27 |
|
[MG]A:406 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
16096 |
38.2 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.048 |
28 |
|
[MG]B:406 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
16011 |
37.1 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.048 |
Average: |
37.7 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.048 |
27 |
29 |
|
[MG]B:408 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
16011 |
36.6 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.079 |
30 |
|
[MG]A:407 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
16096 |
36.5 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.079 |
Average: |
36.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.079 |
28 |
31 |
|
[MG]B:405 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
10 |
6 |
16011 |
33.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.051 |
32 |
|
[MG]A:405 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
10 |
6 |
16096 |
33.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.051 |
Average: |
33.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.051 |
29 |
33 |
|
[PO4]B:401 |
4 |
1 |
190 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
16096 |
32.3 |
-0.8 |
0.903 |
0 |
0 |
0 |
0.005 |
30 |
34 |
|
[PO4]A:401 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
16011 |
31.6 |
-0.7 |
0.906 |
0 |
0 |
0 |
0.005 |
31 |
35 |
|
[PO4]B:402 |
4 |
1 |
188 |
◊ |
[PO4]B:401 |
x,y,z |
1_555 |
4 |
1 |
190 |
30.6 |
-2.9 |
0.973 |
0 |
0 |
0 |
0.019 |
32 |
36 |
|
[PO4]A:402 |
4 |
1 |
188 |
◊ |
[PO4]A:401 |
x,y,z |
1_555 |
4 |
1 |
187 |
29.5 |
-2.8 |
0.973 |
0 |
0 |
0 |
0.018 |
33 |
37 |
|
B |
5 |
2 |
16011 |
x |
B |
x-1,y,z |
1_455 |
2 |
2 |
16011 |
28.3 |
0.1 |
0.570 |
0 |
0 |
0 |
0.000 |
34 |
38 |
|
[MG]B:407 |
1 |
1 |
98 |
f |
[PO4]B:404 |
x,y,z |
1_555 |
3 |
1 |
190 |
27.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.026 |
35 |
39 |
|
[MG]B:406 |
1 |
1 |
98 |
f |
[PO4]B:401 |
x,y,z |
1_555 |
3 |
1 |
190 |
25.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.100 |
40 |
|
[MG]A:405 |
1 |
1 |
98 |
f |
[PO4]A:401 |
x,y,z |
1_555 |
3 |
1 |
187 |
20.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.100 |
Average: |
23.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.100 |
36 |
41 |
|
[MPO]B:409 |
2 |
1 |
351 |
f |
[PO4]B:404 |
x,y,z |
1_555 |
4 |
1 |
190 |
25.7 |
-0.7 |
0.480 |
0 |
0 |
0 |
0.004 |
37 |
42 |
|
[MG]A:406 |
1 |
1 |
98 |
◊ |
[PO4]A:401 |
x,y,z |
1_555 |
3 |
1 |
187 |
25.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.092 |
43 |
|
[MG]A:407 |
1 |
1 |
98 |
◊ |
[PO4]B:401 |
x,y,z |
1_555 |
3 |
1 |
190 |
22.6 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.092 |
44 |
|
[MG]A:407 |
1 |
1 |
98 |
◊ |
[PO4]B:402 |
x,y,z |
1_555 |
3 |
1 |
188 |
22.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.092 |
45 |
|
[MG]A:405 |
1 |
1 |
98 |
◊ |
[PO4]A:402 |
x,y,z |
1_555 |
3 |
1 |
188 |
21.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.092 |
Average: |
22.9 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.092 |
38 |
46 |
|
[MG]B:408 |
1 |
1 |
98 |
◊ |
[PO4]A:402 |
x,y,z |
1_555 |
3 |
1 |
188 |
22.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.066 |
47 |
|
[MG]B:408 |
1 |
1 |
98 |
◊ |
[PO4]A:401 |
x,y,z |
1_555 |
3 |
1 |
187 |
22.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.066 |
48 |
|
[MG]B:405 |
1 |
1 |
98 |
◊ |
[PO4]B:401 |
x,y,z |
1_555 |
3 |
1 |
190 |
20.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.066 |
Average: |
21.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.066 |
39 |
49 |
|
[MG]B:405 |
1 |
1 |
98 |
◊ |
[PO4]B:402 |
x,y,z |
1_555 |
3 |
1 |
188 |
21.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.030 |
50 |
|
[MG]B:406 |
1 |
1 |
98 |
◊ |
[PO4]B:403 |
x,y,z |
1_555 |
3 |
1 |
189 |
9.8 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.030 |
Average: |
15.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.030 |
40 |
51 |
|
[MG]B:407 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
16011 |
15.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
41 |
52 |
|
[MG]A:406 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
16011 |
12.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.014 |
53 |
|
[MG]B:406 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
16096 |
12.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.014 |
Average: |
12.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.014 |
42 |
54 |
|
[MPO]B:409 |
3 |
1 |
351 |
f |
[MG]B:407 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.9 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.005 |
43 |
55 |
|
[MG]A:406 |
1 |
1 |
98 |
◊ |
[PO4]A:403 |
x,y,z |
1_555 |
3 |
1 |
190 |
10.3 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.009 |
44 |
56 |
|
[MG]B:405 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
16096 |
7.4 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.005 |
57 |
|
[MG]A:405 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
16011 |
6.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.005 |
Average: |
7.2 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.005 |
45 |
58 |
|
[MG]B:408 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
16096 |
6.1 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.005 |
59 |
|
[MG]A:407 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
16011 |
6.1 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.005 |
Average: |
6.1 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.005 |
46 |
60 |
|
[MG]B:408 |
1 |
1 |
98 |
◊ |
[MG]A:405 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.006 |
47 |
61 |
|
[MG]B:405 |
1 |
1 |
98 |
◊ |
[MG]A:407 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.0 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.005 |
48 |
62 |
|
[PO4]B:403 |
1 |
1 |
189 |
◊ |
[PO4]B:401 |
x,y,z |
1_555 |
1 |
1 |
190 |
2.4 |
-0.3 |
0.800 |
0 |
0 |
0 |
0.002 |
49 |
63 |
|
[MG]B:406 |
1 |
1 |
98 |
◊ |
[MG]B:405 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.2 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.003 |
50 |
64 |
|
[PO4]A:403 |
1 |
1 |
190 |
◊ |
[PO4]A:401 |
x,y,z |
1_555 |
1 |
1 |
187 |
2.1 |
-0.2 |
0.800 |
0 |
0 |
0 |
0.001 |
51 |
65 |
|
[MG]A:406 |
1 |
1 |
98 |
◊ |
[MG]A:405 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.002 |
52 |
66 |
|
[PO4]B:404 |
1 |
1 |
190 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
16011 |
0.9 |
-0.0 |
0.742 |
0 |
0 |
0 |
0.000 |
|