| ## |
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 |
|
G |
103 |
20 |
4557 |
◊ |
B |
x,y,z |
1_555 |
105 |
20 |
4549 |
951.7 |
-19.8 |
0.977 |
19 |
0 |
0 |
1.000 |
| 2 |
2 |
|
D |
76 |
24 |
7735 |
◊ |
A |
x,y,z |
1_555 |
77 |
24 |
7724 |
743.4 |
-11.1 |
0.153 |
8 |
0 |
0 |
0.213 |
| 3 |
3 |
|
A |
65 |
17 |
7724 |
◊ |
D |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
65 |
17 |
7735 |
562.2 |
-8.1 |
0.247 |
4 |
0 |
0 |
0.135 |
| 4 |
4 |
|
B |
53 |
8 |
4549 |
◊ |
D |
x,y,z |
1_555 |
70 |
23 |
7735 |
493.6 |
-10.6 |
0.672 |
7 |
0 |
0 |
0.338 |
5 |
|
G |
51 |
8 |
4557 |
◊ |
A |
x,y,z |
1_555 |
73 |
24 |
7724 |
491.5 |
-10.8 |
0.661 |
6 |
0 |
0 |
0.338 |
| Average: |
492.6 |
-10.7 |
0.667 |
7 |
0 |
0 |
0.338 |
| 5 |
6 |
|
D |
50 |
12 |
7735 |
x |
D |
-y+1,x-y,z |
2_655 |
46 |
12 |
7735 |
466.8 |
-4.6 |
0.390 |
7 |
2 |
0 |
0.224 |
7 |
|
A |
48 |
13 |
7724 |
x |
A |
-y+1,x-y+1,z |
2_665 |
50 |
12 |
7724 |
462.6 |
-4.5 |
0.410 |
7 |
2 |
0 |
0.224 |
| Average: |
464.7 |
-4.5 |
0.400 |
7 |
2 |
0 |
0.224 |
| 6 |
8 |
|
G |
55 |
8 |
4557 |
◊ |
D |
x,y,z |
1_555 |
49 |
14 |
7735 |
398.5 |
-7.1 |
0.640 |
4 |
0 |
0 |
0.224 |
9 |
|
B |
54 |
8 |
4549 |
◊ |
A |
x,y,z |
1_555 |
47 |
13 |
7724 |
397.3 |
-7.2 |
0.639 |
3 |
0 |
0 |
0.224 |
| Average: |
397.9 |
-7.1 |
0.639 |
4 |
0 |
0 |
0.224 |
| 7 |
10 |
|
[SO4]D:301 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
7735 |
83.3 |
-10.9 |
0.828 |
2 |
0 |
0 |
0.330 |
| 8 |
11 |
|
[SO4]A:301 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
7724 |
82.9 |
-11.9 |
0.825 |
3 |
0 |
0 |
0.342 |
| 9 |
12 |
|
[SO4]D:302 |
5 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
7735 |
60.0 |
-8.2 |
0.705 |
3 |
0 |
0 |
0.266 |
| 10 |
13 |
|
[SO4]A:302 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
7724 |
52.4 |
-6.8 |
0.672 |
1 |
0 |
0 |
0.188 |
| 11 |
14 |
|
[MG]D:303 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
17 |
7 |
7735 |
51.5 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.180 |
15 |
|
[MG]B:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
7724 |
50.2 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.180 |
| Average: |
50.9 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.180 |
| 12 |
16 |
|
A |
5 |
2 |
7724 |
◊ |
[SO4]D:302 |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
4 |
1 |
183 |
42.7 |
-4.9 |
0.677 |
0 |
0 |
0 |
0.067 |
| 13 |
17 |
|
[SO4]A:302 |
3 |
1 |
187 |
◊ |
D |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
3 |
1 |
7735 |
35.2 |
-4.3 |
0.554 |
0 |
0 |
0 |
0.059 |
| 14 |
18 |
|
[MG]B:501 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
4549 |
28.9 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.096 |
19 |
|
[MG]D:303 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
5 |
2 |
4557 |
24.7 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.096 |
| Average: |
26.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.096 |
| 15 |
20 |
|
D |
2 |
2 |
7735 |
◊ |
G |
-y+1,x-y,z |
2_655 |
3 |
3 |
4557 |
16.9 |
-0.6 |
0.617 |
0 |
0 |
0 |
0.013 |
21 |
|
B |
2 |
2 |
4549 |
◊ |
A |
-y+1,x-y+1,z |
2_665 |
2 |
2 |
7724 |
14.8 |
-0.6 |
0.567 |
0 |
0 |
0 |
0.013 |
| Average: |
15.8 |
-0.6 |
0.592 |
0 |
0 |
0 |
0.013 |
| 16 |
22 |
|
B |
1 |
1 |
4549 |
x |
B |
-x+y+2/3,-x+4/3,z+1/3 |
6_565 |
2 |
1 |
4549 |
5.4 |
-0.1 |
0.558 |
0 |
0 |
0 |
0.000 |
23 |
|
G |
2 |
1 |
4557 |
x |
G |
-x+y+2/3,-x+4/3,z+1/3 |
6_565 |
1 |
1 |
4557 |
4.9 |
-0.1 |
0.556 |
0 |
0 |
0 |
0.000 |
| Average: |
5.1 |
-0.1 |
0.557 |
0 |
0 |
0 |
0.000 |
| 17 |
24 |
|
A |
3 |
3 |
7724 |
◊ |
B |
-y+1,x-y,z |
2_655 |
2 |
2 |
4549 |
4.5 |
-0.2 |
0.561 |
0 |
0 |
0 |
0.000 |
25 |
|
G |
2 |
2 |
4557 |
◊ |
D |
-y+1,x-y+1,z |
2_665 |
3 |
3 |
7735 |
3.3 |
-0.1 |
0.559 |
0 |
0 |
0 |
0.000 |
| Average: |
3.9 |
-0.1 |
0.560 |
0 |
0 |
0 |
0.000 |
|