## |
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 |
260 |
63 |
14888 |
◊ |
A |
x,y,z |
1_555 |
263 |
63 |
14762 |
2520.5 |
-24.4 |
0.027 |
49 |
16 |
0 |
0.243 |
2 |
2 |
|
[NAP]B:410 |
46 |
1 |
927 |
f |
B |
x,y,z |
1_555 |
92 |
36 |
14888 |
648.6 |
-1.9 |
0.505 |
16 |
0 |
0 |
0.107 |
3 |
|
[NAP]A:414 |
47 |
1 |
929 |
f |
A |
x,y,z |
1_555 |
94 |
37 |
14762 |
645.1 |
-1.7 |
0.527 |
15 |
0 |
0 |
0.107 |
Average: |
646.8 |
-1.8 |
0.516 |
16 |
0 |
0 |
0.107 |
3 |
4 |
|
B |
59 |
16 |
14888 |
◊ |
A |
x-1,y,z |
1_455 |
59 |
16 |
14762 |
454.6 |
-3.0 |
0.387 |
4 |
2 |
0 |
0.031 |
4 |
5 |
|
A |
37 |
11 |
14762 |
◊ |
B |
x,y,z-1 |
1_554 |
33 |
11 |
14888 |
286.8 |
-3.3 |
0.237 |
0 |
0 |
0 |
0.000 |
5 |
6 |
|
A |
27 |
9 |
14762 |
x |
A |
-x,y-1/2,-z-1 |
2_544 |
26 |
9 |
14762 |
218.1 |
1.3 |
0.754 |
1 |
0 |
0 |
0.000 |
6 |
7 |
|
B |
18 |
4 |
14888 |
x |
B |
x,y,z-1 |
1_554 |
21 |
7 |
14888 |
191.4 |
-2.6 |
0.207 |
1 |
2 |
0 |
0.000 |
7 |
8 |
|
[7N5]A:413 |
9 |
1 |
296 |
f |
A |
x,y,z |
1_555 |
41 |
14 |
14762 |
180.5 |
4.3 |
0.349 |
7 |
0 |
0 |
0.000 |
9 |
|
[7N5]B:409 |
9 |
1 |
295 |
f |
B |
x,y,z |
1_555 |
38 |
13 |
14888 |
178.7 |
4.3 |
0.337 |
6 |
0 |
0 |
0.000 |
Average: |
179.6 |
4.3 |
0.343 |
7 |
0 |
0 |
0.000 |
8 |
10 |
|
B |
11 |
2 |
14888 |
x |
B |
-x-1,y-1/2,-z-1 |
2_444 |
10 |
5 |
14888 |
106.0 |
0.4 |
0.673 |
2 |
1 |
0 |
0.000 |
9 |
11 |
|
B |
14 |
3 |
14888 |
◊ |
A |
-x,y-1/2,-z-1 |
2_544 |
9 |
2 |
14762 |
90.8 |
-0.8 |
0.365 |
0 |
0 |
0 |
0.000 |
10 |
12 |
|
[SO4]B:411 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
14888 |
72.9 |
-9.0 |
0.962 |
3 |
0 |
0 |
0.064 |
11 |
13 |
|
[SO4]A:415 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
14762 |
67.9 |
-8.3 |
0.954 |
3 |
0 |
0 |
0.059 |
12 |
14 |
|
[NAP]A:414 |
9 |
1 |
929 |
f |
[7N5]A:413 |
x,y,z |
1_555 |
8 |
1 |
296 |
67.9 |
0.8 |
0.649 |
0 |
0 |
0 |
0.000 |
15 |
|
[NAP]B:410 |
8 |
1 |
927 |
f |
[7N5]B:409 |
x,y,z |
1_555 |
8 |
1 |
295 |
67.5 |
0.9 |
0.643 |
0 |
0 |
0 |
0.000 |
Average: |
67.7 |
0.9 |
0.646 |
0 |
0 |
0 |
0.000 |
13 |
16 |
|
[MG]A:410 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
14762 |
52.8 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.117 |
17 |
|
[MG]B:405 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
14888 |
52.0 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.117 |
Average: |
52.4 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.117 |
14 |
18 |
|
[MG]B:404 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
14888 |
52.7 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.045 |
15 |
19 |
|
[MG]B:406 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
14888 |
50.0 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.092 |
20 |
|
[MG]A:404 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
14762 |
49.6 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.092 |
Average: |
49.8 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.092 |
16 |
21 |
|
[MG]B:408 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
14888 |
46.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.062 |
22 |
|
[MG]A:403 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
14762 |
43.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.062 |
Average: |
45.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.062 |
17 |
23 |
|
B |
10 |
5 |
14888 |
f |
[MG]A:405 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
45.4 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.036 |
18 |
24 |
|
[MG]B:407 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
14888 |
43.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.053 |
25 |
|
A |
10 |
5 |
14762 |
f |
[MG]A:407 |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
98 |
39.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.053 |
Average: |
41.6 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.053 |
19 |
26 |
|
A |
6 |
1 |
14762 |
◊ |
[SO4]A:415 |
-x,y-1/2,-z-1 |
2_544 |
4 |
1 |
186 |
39.1 |
-5.0 |
0.721 |
0 |
0 |
0 |
0.000 |
20 |
27 |
|
[MG]A:409 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
14762 |
38.3 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.066 |
28 |
|
B |
9 |
4 |
14888 |
f |
[MG]A:401 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
37.3 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.066 |
Average: |
37.8 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.066 |
21 |
29 |
|
[MG]B:403 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
14888 |
36.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.028 |
22 |
30 |
|
[MG]B:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
14762 |
36.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.052 |
31 |
|
[MG]A:416 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
14888 |
30.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.052 |
Average: |
33.5 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.052 |
23 |
32 |
|
[MG]A:408 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
14762 |
34.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.022 |
24 |
33 |
|
[MG]B:401 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
14888 |
34.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.031 |
34 |
|
[MG]A:416 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
14762 |
29.6 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.031 |
Average: |
31.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.031 |
25 |
35 |
|
[MG]A:401 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
7 |
5 |
14762 |
33.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.043 |
36 |
|
B |
7 |
5 |
14888 |
◊ |
[MG]A:409 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
33.1 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.043 |
Average: |
33.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.043 |
26 |
37 |
|
A |
2 |
1 |
14762 |
◊ |
[MG]A:408 |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
98 |
32.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
27 |
38 |
|
[MG]A:411 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
14762 |
32.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.024 |
28 |
39 |
|
[NAP]A:414 |
8 |
1 |
929 |
f |
[MG]A:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.8 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.045 |
40 |
|
[NAP]B:410 |
6 |
1 |
927 |
f |
[MG]B:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.5 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.045 |
Average: |
30.1 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.045 |
29 |
41 |
|
[MG]A:405 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
14762 |
30.5 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.018 |
30 |
42 |
|
[MG]A:412 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
14762 |
24.5 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.016 |
31 |
43 |
|
[MG]A:406 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
14762 |
23.5 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.014 |
32 |
44 |
|
[MG]A:407 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
14762 |
22.3 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
33 |
45 |
|
[MG]A:416 |
1 |
1 |
98 |
◊ |
A |
-x,y-1/2,-z-1 |
2_544 |
6 |
2 |
14762 |
20.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
34 |
46 |
|
A |
3 |
2 |
14762 |
◊ |
[MG]A:412 |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
98 |
19.9 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
47 |
|
B |
4 |
1 |
14888 |
◊ |
[MG]A:412 |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
98 |
15.5 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
17.7 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
48 |
|
[MG]B:403 |
1 |
1 |
98 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
14762 |
17.4 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.013 |
36 |
49 |
|
[MG]A:416 |
1 |
1 |
98 |
◊ |
[SO4]A:415 |
-x,y-1/2,-z-1 |
2_544 |
3 |
1 |
186 |
16.6 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.000 |
37 |
50 |
|
[MG]A:405 |
1 |
1 |
98 |
f |
[MG]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.4 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.010 |
38 |
51 |
|
A |
3 |
1 |
14762 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
14888 |
7.5 |
0.2 |
0.734 |
0 |
0 |
0 |
0.000 |
39 |
52 |
|
[SO4]A:415 |
1 |
1 |
186 |
f |
[NAP]A:414 |
x,y,z |
1_555 |
2 |
1 |
929 |
7.3 |
-0.8 |
0.651 |
0 |
0 |
0 |
0.005 |
40 |
53 |
|
[SO4]B:411 |
1 |
1 |
186 |
f |
[NAP]B:410 |
x,y,z |
1_555 |
1 |
1 |
927 |
5.1 |
-0.5 |
0.672 |
0 |
0 |
0 |
0.003 |
41 |
54 |
|
[MG]B:402 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
14888 |
4.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
55 |
|
[MG]A:402 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
14762 |
4.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
Average: |
4.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
42 |
56 |
|
B |
2 |
1 |
14888 |
◊ |
[SO4]A:415 |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
186 |
2.5 |
-0.2 |
0.848 |
0 |
0 |
0 |
0.000 |
43 |
57 |
|
[MG]A:406 |
1 |
1 |
98 |
◊ |
A |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
14762 |
0.4 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|