## |
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 |
94 |
25 |
16941 |
◊ |
C |
-x+3/2,y-1/2,-z+3 |
4_648 |
101 |
26 |
16926 |
923.3 |
-7.1 |
0.296 |
4 |
0 |
0 |
0.000 |
2 |
2 |
|
[L1S]A:1101 |
36 |
1 |
727 |
f |
A |
x,y,z |
1_555 |
73 |
22 |
16832 |
510.3 |
1.5 |
0.282 |
3 |
0 |
0 |
0.011 |
3 |
|
[L1S]B:1101 |
36 |
1 |
725 |
f |
B |
x,y,z |
1_555 |
75 |
22 |
16906 |
509.4 |
1.5 |
0.286 |
3 |
0 |
0 |
0.011 |
4 |
|
[L1S]C:1101 |
36 |
1 |
735 |
f |
C |
x,y,z |
1_555 |
71 |
23 |
16926 |
498.4 |
0.8 |
0.239 |
3 |
0 |
0 |
0.011 |
Average: |
506.0 |
1.3 |
0.269 |
3 |
0 |
0 |
0.011 |
3 |
5 |
|
[L1S]D:1101 |
36 |
1 |
735 |
f |
D |
x,y,z |
1_555 |
71 |
23 |
16941 |
501.2 |
0.8 |
0.242 |
3 |
0 |
0 |
0.005 |
4 |
6 |
|
A |
61 |
15 |
16832 |
◊ |
D |
x,y,z-1 |
1_554 |
46 |
19 |
16941 |
486.3 |
-3.5 |
0.364 |
5 |
1 |
0 |
0.000 |
7 |
|
B |
61 |
15 |
16906 |
◊ |
A |
x,y,z |
1_555 |
48 |
20 |
16832 |
479.9 |
-3.4 |
0.380 |
6 |
1 |
0 |
0.000 |
8 |
|
D |
59 |
15 |
16941 |
◊ |
C |
x,y,z |
1_555 |
48 |
19 |
16926 |
478.6 |
-3.4 |
0.367 |
6 |
1 |
0 |
0.000 |
9 |
|
C |
58 |
15 |
16926 |
◊ |
B |
x,y,z |
1_555 |
47 |
19 |
16906 |
471.3 |
-3.5 |
0.373 |
6 |
1 |
0 |
0.000 |
Average: |
479.0 |
-3.5 |
0.371 |
6 |
1 |
0 |
0.000 |
5 |
10 |
|
D |
47 |
14 |
16941 |
◊ |
B |
-x+1,y,-z+3 |
2_658 |
42 |
14 |
16906 |
483.6 |
-0.7 |
0.569 |
4 |
1 |
1 |
0.072 |
11 |
|
A |
46 |
14 |
16832 |
◊ |
A |
-x+1,y,-z+2 |
2_657 |
44 |
14 |
16832 |
471.0 |
-1.8 |
0.501 |
3 |
0 |
0 |
0.072 |
12 |
|
C |
44 |
13 |
16926 |
◊ |
C |
-x+1,y,-z+3 |
2_658 |
44 |
13 |
16926 |
460.5 |
-1.3 |
0.547 |
3 |
0 |
1 |
0.072 |
Average: |
471.7 |
-1.3 |
0.539 |
3 |
0 |
1 |
0.072 |
6 |
13 |
|
B |
32 |
9 |
16906 |
◊ |
A |
-x+1,y,-z+2 |
2_657 |
31 |
8 |
16832 |
249.7 |
-1.5 |
0.478 |
0 |
0 |
0 |
0.000 |
14 |
|
D |
31 |
8 |
16941 |
◊ |
C |
-x+1,y,-z+3 |
2_658 |
30 |
7 |
16926 |
240.3 |
-1.0 |
0.526 |
0 |
0 |
0 |
0.000 |
Average: |
245.0 |
-1.3 |
0.502 |
0 |
0 |
0 |
0.000 |
7 |
15 |
|
D |
19 |
6 |
16941 |
◊ |
A |
-x+1,y,-z+2 |
2_657 |
17 |
6 |
16832 |
192.8 |
-0.7 |
0.514 |
2 |
0 |
0 |
0.000 |
16 |
|
C |
17 |
6 |
16926 |
◊ |
B |
-x+1,y,-z+2 |
2_657 |
18 |
6 |
16906 |
190.0 |
-0.8 |
0.501 |
2 |
0 |
0 |
0.000 |
Average: |
191.4 |
-0.8 |
0.507 |
2 |
0 |
0 |
0.000 |
8 |
17 |
|
D |
14 |
6 |
16941 |
◊ |
D |
-x+1,y,-z+3 |
2_658 |
14 |
6 |
16941 |
119.3 |
-2.4 |
0.210 |
0 |
0 |
0 |
0.000 |
18 |
|
C |
14 |
6 |
16926 |
◊ |
A |
-x+1,y,-z+2 |
2_657 |
14 |
6 |
16832 |
104.5 |
-2.1 |
0.256 |
0 |
0 |
0 |
0.000 |
19 |
|
B |
12 |
6 |
16906 |
◊ |
B |
-x+1,y,-z+2 |
2_657 |
12 |
6 |
16906 |
87.0 |
-1.8 |
0.280 |
0 |
0 |
0 |
0.000 |
Average: |
103.6 |
-2.1 |
0.249 |
0 |
0 |
0 |
0.000 |
9 |
20 |
|
[SO4]A:1102 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
16832 |
97.3 |
-15.1 |
0.751 |
3 |
0 |
0 |
0.379 |
21 |
|
[SO4]B:1102 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
16906 |
96.2 |
-15.5 |
0.745 |
4 |
0 |
0 |
0.379 |
Average: |
96.7 |
-15.3 |
0.748 |
4 |
0 |
0 |
0.379 |
10 |
22 |
|
[SO4]C:1102 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
16926 |
95.9 |
-15.3 |
0.755 |
5 |
0 |
0 |
0.379 |
11 |
23 |
|
[SO4]D:1102 |
5 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
17 |
8 |
16941 |
95.6 |
-15.1 |
0.747 |
5 |
0 |
0 |
0.188 |
12 |
24 |
|
[SO4]D:1104 |
5 |
1 |
182 |
f |
B |
-x+1,y,-z+3 |
2_658 |
10 |
5 |
16906 |
84.3 |
-8.2 |
0.953 |
1 |
0 |
0 |
0.094 |
13 |
25 |
|
[SO4]C:1104 |
5 |
1 |
183 |
f |
C |
-x+1,y,-z+3 |
2_658 |
10 |
4 |
16926 |
83.6 |
-8.0 |
0.953 |
1 |
0 |
0 |
0.183 |
14 |
26 |
|
[SO4]D:1103 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
10 |
8 |
16941 |
77.2 |
-9.9 |
0.902 |
2 |
0 |
0 |
0.117 |
15 |
27 |
|
[SO4]A:1103 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
8 |
16832 |
77.0 |
-9.8 |
0.895 |
1 |
0 |
0 |
0.237 |
16 |
28 |
|
[SO4]B:1104 |
5 |
1 |
183 |
f |
D |
-x+1,y,-z+3 |
2_658 |
10 |
5 |
16941 |
75.7 |
-7.3 |
0.952 |
1 |
0 |
0 |
0.084 |
17 |
29 |
|
[SO4]C:1103 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
10 |
7 |
16926 |
75.2 |
-9.8 |
0.898 |
1 |
0 |
0 |
0.221 |
18 |
30 |
|
[SO4]A:1104 |
4 |
1 |
181 |
f |
A |
-x+1,y,-z+2 |
2_657 |
7 |
4 |
16832 |
73.0 |
-7.6 |
0.944 |
1 |
0 |
0 |
0.186 |
19 |
31 |
|
[SO4]B:1103 |
5 |
1 |
184 |
cf |
B |
x,y,z |
1_555 |
9 |
7 |
16906 |
69.4 |
-8.9 |
0.903 |
1 |
0 |
0 |
0.102 |
20 |
32 |
|
[SO4]A:1104 |
4 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
16832 |
55.3 |
-5.9 |
0.910 |
3 |
0 |
0 |
0.166 |
21 |
33 |
|
[SO4]D:1104 |
4 |
1 |
182 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
16941 |
53.6 |
-6.0 |
0.924 |
3 |
0 |
0 |
0.079 |
22 |
34 |
|
[SO4]B:1104 |
5 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
16906 |
53.1 |
-6.1 |
0.921 |
2 |
0 |
0 |
0.075 |
23 |
35 |
|
C |
6 |
4 |
16926 |
◊ |
C |
-x+1,y,-z+2 |
2_657 |
6 |
4 |
16926 |
52.3 |
1.4 |
0.861 |
0 |
0 |
0 |
0.000 |
36 |
|
D |
5 |
4 |
16941 |
◊ |
B |
-x+1,y,-z+2 |
2_657 |
6 |
4 |
16906 |
41.4 |
1.2 |
0.854 |
0 |
0 |
0 |
0.000 |
37 |
|
A |
5 |
4 |
16832 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
5 |
4 |
16832 |
33.2 |
1.0 |
0.842 |
0 |
0 |
0 |
0.000 |
Average: |
42.3 |
1.2 |
0.852 |
0 |
0 |
0 |
0.000 |
24 |
38 |
|
[SO4]C:1104 |
5 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
16926 |
52.1 |
-5.3 |
0.949 |
2 |
0 |
0 |
0.134 |
25 |
39 |
|
B |
8 |
3 |
16906 |
◊ |
D |
x-1/2,y+1/2,z-1 |
3_454 |
3 |
1 |
16941 |
47.9 |
-0.4 |
0.492 |
0 |
0 |
0 |
0.000 |
40 |
|
A |
6 |
2 |
16832 |
◊ |
C |
x-1/2,y-1/2,z-1 |
3_444 |
3 |
1 |
16926 |
32.6 |
-0.7 |
0.335 |
0 |
0 |
0 |
0.000 |
Average: |
40.2 |
-0.5 |
0.414 |
0 |
0 |
0 |
0.000 |
26 |
41 |
|
B |
5 |
3 |
16906 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
7 |
3 |
16832 |
46.0 |
-0.2 |
0.390 |
0 |
0 |
0 |
0.000 |
42 |
|
A |
5 |
3 |
16832 |
◊ |
D |
x-1/2,y-1/2,z-1 |
3_444 |
6 |
3 |
16941 |
41.7 |
-0.3 |
0.387 |
0 |
0 |
0 |
0.000 |
Average: |
43.9 |
-0.3 |
0.389 |
0 |
0 |
0 |
0.000 |
27 |
43 |
|
[SO4]A:1104 |
4 |
1 |
181 |
◊ |
B |
-x+1,y,-z+2 |
2_657 |
4 |
2 |
16906 |
43.7 |
-4.4 |
0.958 |
1 |
0 |
0 |
0.000 |
28 |
44 |
|
[SO4]B:1104 |
4 |
1 |
183 |
◊ |
A |
-x+1,y,-z+2 |
2_657 |
4 |
2 |
16832 |
35.9 |
-3.8 |
0.936 |
1 |
0 |
0 |
0.000 |
29 |
45 |
|
[SO4]D:1104 |
4 |
1 |
182 |
◊ |
C |
-x+1,y,-z+3 |
2_658 |
4 |
2 |
16926 |
35.3 |
-3.9 |
0.902 |
0 |
0 |
0 |
0.000 |
30 |
46 |
|
[SO4]C:1104 |
3 |
1 |
183 |
◊ |
D |
-x+1,y,-z+3 |
2_658 |
4 |
2 |
16941 |
35.1 |
-3.9 |
0.938 |
1 |
0 |
0 |
0.000 |
31 |
47 |
|
A |
3 |
1 |
16832 |
◊ |
B |
-x+1/2,y-1/2,-z+2 |
4_547 |
3 |
1 |
16906 |
26.3 |
-0.8 |
0.219 |
0 |
0 |
0 |
0.000 |
|