| ## |
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 |
92 |
24 |
23636 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
109 |
34 |
23636 |
958.7 |
-10.4 |
0.157 |
9 |
4 |
0 |
0.000 |
| 2 |
2 |
|
B |
111 |
27 |
23060 |
◊ |
A |
x,y,z |
1_555 |
104 |
26 |
23636 |
916.8 |
-4.8 |
0.501 |
13 |
0 |
0 |
0.000 |
| 3 |
3 |
|
B |
53 |
14 |
23060 |
x |
B |
-x,y-1/2,-z+1/2 |
3_545 |
53 |
16 |
23060 |
477.9 |
-1.2 |
0.603 |
7 |
4 |
0 |
0.000 |
| 4 |
4 |
|
[23E]B:601 |
40 |
1 |
918 |
f |
B |
x,y,z |
1_555 |
50 |
19 |
23060 |
431.6 |
-3.1 |
0.374 |
5 |
0 |
0 |
0.007 |
5 |
|
[23E]A:601 |
40 |
1 |
918 |
f |
A |
x,y,z |
1_555 |
54 |
19 |
23636 |
426.6 |
-3.5 |
0.360 |
4 |
0 |
0 |
0.007 |
| Average: |
429.1 |
-3.3 |
0.367 |
5 |
0 |
0 |
0.007 |
| 5 |
6 |
|
[7HH]B:602 |
30 |
1 |
667 |
f |
B |
x,y,z |
1_555 |
60 |
24 |
23060 |
427.7 |
-14.1 |
0.342 |
2 |
0 |
0 |
0.019 |
7 |
|
[7HH]A:602 |
31 |
1 |
662 |
f |
A |
x,y,z |
1_555 |
63 |
24 |
23636 |
424.1 |
-14.2 |
0.366 |
2 |
0 |
0 |
0.019 |
| Average: |
425.9 |
-14.2 |
0.354 |
2 |
0 |
0 |
0.019 |
| 6 |
8 |
|
A |
50 |
15 |
23636 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
46 |
13 |
23060 |
410.9 |
-3.0 |
0.427 |
6 |
2 |
0 |
0.003 |
| 7 |
9 |
|
A |
28 |
10 |
23636 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
23 |
11 |
23060 |
220.6 |
0.6 |
0.719 |
0 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[23E]A:601 |
21 |
1 |
918 |
◊ |
[23E]B:601 |
-x+1/2,-y,z-1/2 |
2_554 |
23 |
1 |
918 |
157.3 |
0.6 |
0.585 |
0 |
0 |
0 |
0.000 |
| 9 |
11 |
|
A |
17 |
5 |
23636 |
◊ |
[23E]B:601 |
-x+1/2,-y,z-1/2 |
2_554 |
15 |
1 |
918 |
148.8 |
0.2 |
0.480 |
0 |
0 |
0 |
0.000 |
| 10 |
12 |
|
[23E]A:601 |
16 |
1 |
918 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
14 |
6 |
23060 |
109.2 |
0.3 |
0.555 |
0 |
0 |
0 |
0.000 |
| 11 |
13 |
|
[SO4]A:607 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
23636 |
100.6 |
-14.4 |
0.697 |
3 |
0 |
0 |
0.018 |
| 12 |
14 |
|
[SO4]A:604 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
9 |
23636 |
95.3 |
-12.8 |
0.915 |
5 |
0 |
0 |
0.017 |
| 13 |
15 |
|
[SO4]B:607 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
16 |
10 |
23060 |
95.2 |
-12.7 |
0.877 |
4 |
0 |
0 |
0.018 |
| 14 |
16 |
|
[SO4]A:603 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
23636 |
83.0 |
-10.8 |
0.842 |
3 |
0 |
0 |
0.014 |
| 15 |
17 |
|
[SO4]B:603 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
23060 |
82.7 |
-10.9 |
0.845 |
3 |
0 |
0 |
0.016 |
| 16 |
18 |
|
[SO4]A:605 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
23636 |
79.9 |
-11.0 |
0.814 |
4 |
0 |
0 |
0.014 |
| 17 |
19 |
|
[SO4]A:606 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
23636 |
79.9 |
-11.9 |
0.740 |
4 |
0 |
0 |
0.015 |
| 18 |
20 |
|
[SO4]B:605 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
23060 |
74.3 |
-10.0 |
0.887 |
2 |
0 |
0 |
0.014 |
| 19 |
21 |
|
[SO4]B:604 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
23060 |
69.4 |
-9.7 |
0.812 |
5 |
0 |
0 |
0.015 |
| 20 |
22 |
|
[SO4]B:606 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
23060 |
59.9 |
-7.1 |
0.924 |
3 |
0 |
0 |
0.011 |
| 21 |
23 |
|
B |
4 |
3 |
23060 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
9 |
2 |
23636 |
58.3 |
0.1 |
0.454 |
0 |
0 |
0 |
0.000 |
| 22 |
24 |
|
A |
10 |
3 |
23636 |
◊ |
[SO4]B:605 |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
1 |
185 |
56.3 |
-6.9 |
0.700 |
1 |
0 |
0 |
0.004 |
| 23 |
25 |
|
[SO4]A:605 |
5 |
1 |
185 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
6 |
4 |
23636 |
54.6 |
-7.3 |
0.606 |
2 |
0 |
0 |
0.000 |
| 24 |
26 |
|
A |
5 |
3 |
23636 |
◊ |
[SO4]A:606 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
186 |
47.8 |
-4.6 |
0.955 |
4 |
0 |
0 |
0.000 |
| 25 |
27 |
|
A |
4 |
2 |
23636 |
◊ |
[SO4]A:607 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
185 |
27.8 |
-2.5 |
0.936 |
1 |
0 |
0 |
0.000 |
| 26 |
28 |
|
A |
1 |
1 |
23636 |
◊ |
[SO4]B:606 |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
187 |
5.2 |
-0.7 |
0.485 |
0 |
0 |
0 |
0.000 |
|