## |
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 |
56 |
19 |
12458 |
x |
B |
-x+3,y-1/2,-z+1 |
2_846 |
53 |
15 |
12458 |
510.4 |
-0.5 |
0.643 |
5 |
0 |
0 |
0.000 |
2 |
|
A |
48 |
16 |
12441 |
x |
A |
-x+3,y-1/2,-z |
2_845 |
52 |
19 |
12441 |
462.9 |
-1.5 |
0.543 |
3 |
0 |
0 |
0.000 |
Average: |
486.6 |
-1.0 |
0.593 |
4 |
0 |
0 |
0.000 |
2 |
3 |
|
A |
42 |
13 |
12441 |
x |
A |
x,y-1,z |
1_545 |
35 |
12 |
12441 |
412.3 |
-5.3 |
0.136 |
4 |
0 |
0 |
0.000 |
4 |
|
B |
38 |
12 |
12458 |
x |
B |
x,y-1,z |
1_545 |
44 |
14 |
12458 |
396.7 |
-4.3 |
0.189 |
4 |
0 |
0 |
0.000 |
Average: |
404.5 |
-4.8 |
0.162 |
4 |
0 |
0 |
0.000 |
3 |
5 |
|
A |
41 |
12 |
12441 |
◊ |
B |
x,y-1,z |
1_545 |
39 |
11 |
12458 |
382.7 |
3.4 |
0.887 |
8 |
8 |
0 |
0.005 |
4 |
6 |
|
A |
30 |
7 |
12441 |
x |
A |
-x+2,y-1/2,-z |
2_745 |
33 |
10 |
12441 |
299.0 |
-2.3 |
0.375 |
2 |
2 |
0 |
0.000 |
5 |
7 |
|
[MPD]B:905 |
7 |
1 |
279 |
f |
B |
x,y,z |
1_555 |
30 |
11 |
12458 |
195.9 |
-13.1 |
0.533 |
0 |
0 |
0 |
0.103 |
8 |
|
[MPD]A:902 |
7 |
1 |
279 |
f |
A |
x,y,z |
1_555 |
30 |
11 |
12441 |
194.2 |
-13.2 |
0.507 |
0 |
0 |
0 |
0.103 |
Average: |
195.0 |
-13.2 |
0.520 |
0 |
0 |
0 |
0.103 |
6 |
9 |
|
[MPD]A:909 |
7 |
1 |
280 |
f |
A |
x,y,z |
1_555 |
35 |
11 |
12441 |
188.2 |
-12.0 |
0.706 |
4 |
0 |
0 |
0.054 |
7 |
10 |
|
[MPD]B:904 |
7 |
1 |
281 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
12458 |
147.5 |
-9.9 |
0.593 |
2 |
0 |
0 |
0.084 |
11 |
|
[MPD]A:901 |
7 |
1 |
281 |
f |
A |
x,y,z |
1_555 |
25 |
9 |
12441 |
147.0 |
-9.8 |
0.623 |
2 |
0 |
0 |
0.084 |
Average: |
147.3 |
-9.9 |
0.608 |
2 |
0 |
0 |
0.084 |
8 |
12 |
|
[MPD]A:908 |
6 |
1 |
277 |
f |
A |
x,y,z |
1_555 |
25 |
7 |
12441 |
139.4 |
-9.0 |
0.727 |
0 |
0 |
0 |
0.035 |
9 |
13 |
|
[MPD]A:903 |
6 |
1 |
280 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
12441 |
138.8 |
-7.2 |
0.847 |
1 |
0 |
0 |
0.058 |
14 |
|
[MPD]B:906 |
6 |
1 |
280 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
12458 |
133.1 |
-7.2 |
0.823 |
0 |
0 |
0 |
0.058 |
Average: |
136.0 |
-7.2 |
0.835 |
1 |
0 |
0 |
0.058 |
10 |
15 |
|
[MPD]A:907 |
7 |
1 |
278 |
f |
B |
x,y-1,z |
1_545 |
23 |
9 |
12458 |
138.5 |
-9.2 |
0.498 |
0 |
0 |
0 |
0.036 |
11 |
16 |
|
[MPD]B:913 |
7 |
1 |
281 |
f |
B |
x,y,z |
1_555 |
24 |
7 |
12458 |
134.1 |
-8.3 |
0.736 |
2 |
0 |
0 |
0.036 |
12 |
17 |
|
[SO4]A:802 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
12441 |
126.0 |
-16.9 |
0.661 |
5 |
0 |
0 |
0.151 |
18 |
|
[SO4]B:804 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
12458 |
122.8 |
-17.1 |
0.657 |
5 |
0 |
0 |
0.151 |
Average: |
124.4 |
-17.0 |
0.659 |
5 |
0 |
0 |
0.151 |
13 |
19 |
|
[MPD]A:912 |
6 |
1 |
277 |
f |
B |
x,y-1,z |
1_545 |
22 |
7 |
12458 |
122.0 |
-7.9 |
0.537 |
0 |
0 |
0 |
0.031 |
14 |
20 |
|
[MPD]A:912 |
7 |
1 |
277 |
◊ |
A |
x,y,z |
1_555 |
25 |
7 |
12441 |
112.2 |
-7.3 |
0.638 |
0 |
0 |
0 |
0.029 |
15 |
21 |
|
B |
10 |
3 |
12458 |
x |
B |
-x+2,y-1/2,-z+1 |
2_746 |
11 |
3 |
12458 |
104.0 |
-1.2 |
0.316 |
1 |
2 |
0 |
0.000 |
16 |
22 |
|
[MPD]B:910 |
5 |
1 |
280 |
◊ |
B |
-x+3,y-1/2,-z+1 |
2_846 |
11 |
3 |
12458 |
99.3 |
-5.7 |
0.698 |
0 |
0 |
0 |
0.000 |
17 |
23 |
|
[MPD]B:911 |
7 |
1 |
277 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
12458 |
98.3 |
-5.6 |
0.853 |
1 |
0 |
0 |
0.024 |
18 |
24 |
|
[SO4]A:807 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
12441 |
95.7 |
-13.1 |
0.815 |
1 |
0 |
0 |
0.053 |
19 |
25 |
|
[MPD]B:914 |
5 |
1 |
281 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
12458 |
95.5 |
-6.2 |
0.485 |
0 |
0 |
0 |
0.024 |
20 |
26 |
|
[SO4]B:808 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
12458 |
86.9 |
-11.3 |
0.803 |
2 |
0 |
0 |
0.048 |
21 |
27 |
|
[MPD]B:910 |
5 |
1 |
280 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
12458 |
84.0 |
-5.3 |
0.617 |
1 |
0 |
0 |
0.023 |
22 |
28 |
|
[SO4]A:805 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
12441 |
82.9 |
-10.3 |
0.920 |
4 |
0 |
0 |
0.047 |
23 |
29 |
|
A |
13 |
5 |
12441 |
◊ |
[MPD]A:901 |
-x+3,y-1/2,-z |
2_845 |
4 |
1 |
281 |
80.5 |
-5.0 |
0.657 |
0 |
0 |
0 |
0.000 |
30 |
|
[MPD]B:904 |
4 |
1 |
281 |
◊ |
B |
-x+3,y-1/2,-z+1 |
2_846 |
13 |
5 |
12458 |
78.8 |
-5.0 |
0.653 |
0 |
0 |
0 |
0.000 |
Average: |
79.7 |
-5.0 |
0.655 |
0 |
0 |
0 |
0.000 |
24 |
31 |
|
B |
10 |
4 |
12458 |
◊ |
[MPD]B:914 |
-x+3,y-1/2,-z+1 |
2_846 |
6 |
1 |
281 |
75.7 |
-3.4 |
0.860 |
1 |
0 |
0 |
0.000 |
25 |
32 |
|
[SO4]B:806 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
12458 |
73.0 |
-9.6 |
0.861 |
3 |
0 |
0 |
0.043 |
26 |
33 |
|
[SO4]A:801 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
12441 |
70.2 |
-9.3 |
0.859 |
3 |
0 |
0 |
0.042 |
27 |
34 |
|
[MPD]B:911 |
5 |
1 |
277 |
◊ |
B |
x,y-1,z |
1_545 |
12 |
4 |
12458 |
63.4 |
-3.7 |
0.674 |
1 |
0 |
0 |
0.000 |
28 |
35 |
|
[SO4]B:803 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
2 |
12458 |
57.4 |
-7.4 |
0.811 |
2 |
0 |
0 |
0.032 |
29 |
36 |
|
[MPD]A:903 |
4 |
1 |
280 |
◊ |
B |
x,y-1,z |
1_545 |
6 |
3 |
12458 |
51.3 |
-2.6 |
0.776 |
0 |
0 |
0 |
0.020 |
37 |
|
A |
6 |
3 |
12441 |
◊ |
[MPD]B:906 |
x,y-1,z |
1_545 |
5 |
1 |
280 |
50.5 |
-2.5 |
0.778 |
0 |
0 |
0 |
0.020 |
Average: |
50.9 |
-2.5 |
0.777 |
0 |
0 |
0 |
0.020 |
30 |
38 |
|
[MPD]B:910 |
3 |
1 |
280 |
◊ |
B |
x,y-1,z |
1_545 |
5 |
3 |
12458 |
39.0 |
-2.3 |
0.551 |
0 |
0 |
0 |
0.000 |
31 |
39 |
|
[MPD]B:914 |
3 |
1 |
281 |
f |
[MPD]B:913 |
x,y,z |
1_555 |
2 |
1 |
281 |
35.7 |
-3.4 |
0.967 |
0 |
0 |
0 |
0.013 |
32 |
40 |
|
B |
4 |
2 |
12458 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
12441 |
18.3 |
-0.5 |
0.292 |
0 |
0 |
0 |
0.000 |
33 |
41 |
|
[MPD]A:909 |
2 |
1 |
280 |
f |
[MPD]A:903 |
x,y,z |
1_555 |
1 |
1 |
280 |
14.4 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.005 |
34 |
42 |
|
[MPD]A:907 |
2 |
1 |
278 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
12441 |
11.1 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.001 |
35 |
43 |
|
[MPD]B:911 |
1 |
1 |
277 |
◊ |
[SO4]B:803 |
x,y-1,z |
1_545 |
1 |
1 |
185 |
5.2 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
44 |
|
B |
2 |
1 |
12458 |
◊ |
[MPD]B:905 |
-x+3,y-1/2,-z+1 |
2_846 |
1 |
1 |
279 |
2.4 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|