| ## |
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 |
|
A |
133 |
35 |
21529 |
◊ |
A |
-x,-y,z |
2_555 |
132 |
35 |
21529 |
1260.5 |
-11.7 |
0.112 |
18 |
0 |
0 |
0.197 |
2 |
|
B |
129 |
32 |
21656 |
◊ |
B |
-x,-y,z |
2_555 |
128 |
32 |
21656 |
1234.7 |
-11.7 |
0.105 |
26 |
6 |
0 |
0.197 |
| Average: |
1247.6 |
-11.7 |
0.108 |
22 |
3 |
0 |
0.197 |
| 2 |
3 |
|
B |
70 |
24 |
21656 |
◊ |
A |
x,y,z |
1_555 |
71 |
24 |
21529 |
727.0 |
-4.4 |
0.291 |
9 |
7 |
0 |
0.070 |
| 3 |
4 |
|
B |
54 |
18 |
21656 |
◊ |
A |
-x+1/2,y-1/2,-z |
3_545 |
53 |
14 |
21529 |
465.4 |
1.9 |
0.790 |
3 |
6 |
0 |
0.000 |
| 4 |
5 |
|
B |
36 |
12 |
21656 |
◊ |
A |
-x,-y,z |
2_555 |
33 |
10 |
21529 |
307.4 |
-5.1 |
0.106 |
0 |
0 |
0 |
0.037 |
| 5 |
6 |
|
B |
28 |
7 |
21656 |
◊ |
A |
x,y,z-1 |
1_554 |
20 |
6 |
21529 |
182.6 |
-0.5 |
0.548 |
3 |
0 |
0 |
0.000 |
| 6 |
7 |
|
[MPD]A:601 |
7 |
1 |
276 |
f |
A |
x,y,z |
1_555 |
30 |
12 |
21529 |
160.5 |
-10.4 |
0.654 |
3 |
0 |
0 |
0.204 |
| 7 |
8 |
|
[MPD]B:1601 |
7 |
1 |
278 |
f |
B |
x,y,z |
1_555 |
24 |
11 |
21656 |
157.0 |
-10.2 |
0.672 |
2 |
0 |
0 |
0.182 |
| 8 |
9 |
|
[SO4]B:1602 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
21656 |
96.1 |
-14.7 |
0.792 |
6 |
0 |
0 |
0.284 |
| 9 |
10 |
|
[SO4]A:602 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
21529 |
95.8 |
-14.3 |
0.791 |
4 |
0 |
0 |
0.279 |
| 10 |
11 |
|
[SO4]B:1603 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
18 |
11 |
21656 |
86.8 |
-12.2 |
0.869 |
3 |
0 |
0 |
0.221 |
| 11 |
12 |
|
[IOD]B:804 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
21656 |
86.7 |
-0.4 |
0.574 |
0 |
0 |
0 |
0.007 |
13 |
|
[IOD]A:803 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
21529 |
84.7 |
-0.4 |
0.594 |
0 |
0 |
0 |
0.007 |
| Average: |
85.7 |
-0.4 |
0.584 |
0 |
0 |
0 |
0.007 |
| 12 |
14 |
|
[IOD]B:802 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
21656 |
86.4 |
0.1 |
0.744 |
0 |
0 |
0 |
0.000 |
15 |
|
[IOD]A:801 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
21529 |
84.6 |
0.1 |
0.748 |
0 |
0 |
0 |
0.000 |
| Average: |
85.5 |
0.1 |
0.746 |
0 |
0 |
0 |
0.000 |
| 13 |
16 |
|
[SO4]A:603 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
17 |
12 |
21529 |
84.7 |
-12.1 |
0.871 |
2 |
0 |
0 |
0.224 |
| 14 |
17 |
|
[IOD]A:813 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
21529 |
84.3 |
0.1 |
0.725 |
0 |
0 |
0 |
0.000 |
18 |
|
[IOD]B:815 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
21656 |
84.2 |
0.2 |
0.750 |
0 |
0 |
0 |
0.000 |
| Average: |
84.2 |
0.1 |
0.738 |
0 |
0 |
0 |
0.000 |
| 15 |
19 |
|
[IOD]A:807 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
21529 |
84.2 |
0.4 |
0.825 |
0 |
0 |
0 |
0.000 |
20 |
|
[IOD]B:808 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
21656 |
75.0 |
0.3 |
0.801 |
0 |
0 |
0 |
0.000 |
| Average: |
79.6 |
0.4 |
0.813 |
0 |
0 |
0 |
0.000 |
| 16 |
21 |
|
[IOD]B:809 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
21656 |
79.7 |
-0.3 |
0.616 |
0 |
0 |
0 |
0.006 |
22 |
|
[IOD]A:805 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
21529 |
79.6 |
-0.0 |
0.715 |
0 |
0 |
0 |
0.006 |
| Average: |
79.7 |
-0.2 |
0.665 |
0 |
0 |
0 |
0.006 |
| 17 |
23 |
|
[IOD]A:812 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
21529 |
78.4 |
0.0 |
0.740 |
0 |
0 |
0 |
0.000 |
24 |
|
[IOD]B:810 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
21656 |
76.9 |
-0.1 |
0.710 |
0 |
0 |
0 |
0.000 |
| Average: |
77.7 |
-0.0 |
0.725 |
0 |
0 |
0 |
0.001 |
| 18 |
25 |
|
[IOD]A:814 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
21656 |
72.9 |
-0.2 |
0.680 |
0 |
0 |
0 |
0.004 |
26 |
|
[IOD]A:816 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
21529 |
71.9 |
-0.2 |
0.682 |
0 |
0 |
0 |
0.004 |
| Average: |
72.4 |
-0.2 |
0.681 |
0 |
0 |
0 |
0.004 |
| 19 |
27 |
|
[IOD]B:811 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
21656 |
70.9 |
-0.3 |
0.656 |
0 |
0 |
0 |
0.004 |
| 20 |
28 |
|
[IOD]A:806 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
21529 |
54.9 |
-0.3 |
0.599 |
0 |
0 |
0 |
0.000 |
29 |
|
[IOD]A:806 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
21656 |
52.2 |
-0.3 |
0.539 |
0 |
0 |
0 |
0.000 |
| Average: |
53.5 |
-0.3 |
0.569 |
0 |
0 |
0 |
0.000 |
| 21 |
30 |
|
[MG]B:704 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
9 |
7 |
21656 |
45.1 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.079 |
31 |
|
[MG]A:703 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
8 |
6 |
21529 |
43.1 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.079 |
| Average: |
44.1 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.079 |
| 22 |
32 |
|
[IOD]B:808 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
21529 |
40.4 |
0.0 |
0.738 |
0 |
0 |
0 |
0.000 |
33 |
|
[IOD]A:807 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
21656 |
30.5 |
0.1 |
0.789 |
0 |
0 |
0 |
0.000 |
| Average: |
35.4 |
0.1 |
0.764 |
0 |
0 |
0 |
0.000 |
| 23 |
34 |
|
[MG]B:701 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
21656 |
35.5 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.061 |
35 |
|
[MG]A:702 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
21529 |
34.2 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.061 |
| Average: |
34.8 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.061 |
| 24 |
36 |
|
[IOD]A:816 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
21656 |
35.5 |
-0.2 |
0.648 |
0 |
0 |
0 |
0.000 |
37 |
|
[IOD]A:814 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
21529 |
30.5 |
0.7 |
0.948 |
0 |
0 |
0 |
0.000 |
| Average: |
33.0 |
0.2 |
0.798 |
0 |
0 |
0 |
0.000 |
| 25 |
38 |
|
[MPD]A:601 |
2 |
1 |
276 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
21656 |
30.6 |
-2.0 |
0.303 |
0 |
0 |
0 |
0.015 |
| 26 |
39 |
|
[SO4]A:603 |
4 |
1 |
186 |
f |
[SO4]A:602 |
x,y,z |
1_555 |
4 |
1 |
187 |
30.0 |
-6.6 |
0.998 |
0 |
0 |
0 |
0.115 |
| 27 |
40 |
|
[MG]B:704 |
1 |
1 |
98 |
◊ |
[SO4]B:1603 |
x,y,z |
1_555 |
3 |
1 |
185 |
29.7 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.071 |
41 |
|
[MG]A:702 |
1 |
1 |
98 |
◊ |
[SO4]A:602 |
x,y,z |
1_555 |
4 |
1 |
187 |
25.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.071 |
| Average: |
27.3 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.071 |
| 28 |
42 |
|
[MG]A:703 |
1 |
1 |
98 |
◊ |
[SO4]A:603 |
x,y,z |
1_555 |
4 |
1 |
186 |
29.0 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.072 |
43 |
|
[MG]B:701 |
1 |
1 |
98 |
◊ |
[SO4]B:1603 |
x,y,z |
1_555 |
3 |
1 |
185 |
20.4 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.072 |
| Average: |
24.7 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.072 |
| 29 |
44 |
|
[SO4]B:1603 |
4 |
1 |
185 |
f |
[SO4]B:1602 |
x,y,z |
1_555 |
4 |
1 |
186 |
28.1 |
-6.2 |
0.998 |
0 |
0 |
0 |
0.101 |
| 30 |
45 |
|
[MG]B:701 |
1 |
1 |
98 |
◊ |
[SO4]B:1602 |
x,y,z |
1_555 |
4 |
1 |
186 |
25.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.061 |
| 31 |
46 |
|
[MPD]B:1601 |
1 |
1 |
278 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
21529 |
24.9 |
-1.6 |
0.312 |
0 |
0 |
0 |
0.012 |
| 32 |
47 |
|
[MG]A:702 |
1 |
1 |
98 |
◊ |
[SO4]A:603 |
x,y,z |
1_555 |
3 |
1 |
186 |
21.6 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.054 |
| 33 |
48 |
|
[IOD]A:816 |
1 |
1 |
144 |
◊ |
[IOD]A:814 |
x,y,z |
1_555 |
1 |
1 |
144 |
16.0 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
|