| ## |
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 |
305 |
82 |
21733 |
◊ |
A |
-x,-y-1,z |
2_545 |
308 |
82 |
21733 |
2922.9 |
-23.1 |
0.194 |
20 |
18 |
0 |
0.227 |
2 |
|
B |
297 |
81 |
21835 |
◊ |
B |
-x,-y-1,z |
2_545 |
295 |
81 |
21835 |
2844.2 |
-26.9 |
0.107 |
26 |
18 |
0 |
0.227 |
| Average: |
2883.5 |
-25.0 |
0.151 |
23 |
18 |
0 |
0.227 |
| 2 |
3 |
|
B |
65 |
15 |
21835 |
◊ |
A |
-x,-y-1,z |
2_545 |
68 |
15 |
21733 |
632.4 |
-2.8 |
0.510 |
1 |
2 |
0 |
0.025 |
| 3 |
4 |
|
[GDP]A:501 |
26 |
1 |
559 |
f |
A |
x,y,z |
1_555 |
53 |
18 |
21733 |
356.0 |
-6.6 |
0.584 |
19 |
0 |
0 |
0.198 |
5 |
|
[GDP]B:501 |
27 |
1 |
559 |
f |
B |
x,y,z |
1_555 |
57 |
18 |
21835 |
355.7 |
-6.8 |
0.558 |
14 |
0 |
0 |
0.198 |
| Average: |
355.9 |
-6.7 |
0.571 |
17 |
0 |
0 |
0.198 |
| 4 |
6 |
|
B |
41 |
10 |
21835 |
◊ |
A |
x,y,z |
1_555 |
42 |
9 |
21733 |
344.6 |
0.9 |
0.728 |
2 |
2 |
0 |
0.002 |
| 5 |
7 |
|
B |
42 |
13 |
21835 |
◊ |
A |
-x+1/2,y-1/2,-z+1/2 |
5_545 |
38 |
14 |
21733 |
320.6 |
-1.5 |
0.514 |
1 |
0 |
0 |
0.000 |
| 6 |
8 |
|
A |
23 |
7 |
21733 |
◊ |
B |
-y-1/2,x-1/2,z-1/2 |
3_444 |
16 |
5 |
21835 |
156.1 |
-1.7 |
0.395 |
1 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[SO4]A:445 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
21733 |
83.0 |
-10.6 |
0.732 |
1 |
0 |
0 |
0.126 |
| 8 |
10 |
|
[SO4]A:444 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
21733 |
78.8 |
-8.0 |
0.949 |
3 |
0 |
0 |
0.106 |
| 9 |
11 |
|
[SO4]A:447 |
5 |
1 |
186 |
f |
B |
-x,-y-1,z |
2_545 |
11 |
4 |
21835 |
76.7 |
-9.4 |
0.799 |
0 |
0 |
0 |
0.104 |
| 10 |
12 |
|
[SO4]B:447 |
5 |
1 |
185 |
f |
A |
-x,-y-1,z |
2_545 |
14 |
4 |
21733 |
76.5 |
-9.5 |
0.790 |
0 |
0 |
0 |
0.108 |
| 11 |
13 |
|
[SO4]B:444 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
21835 |
73.8 |
-9.6 |
0.836 |
2 |
0 |
0 |
0.115 |
| 12 |
14 |
|
[SO4]B:448 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
21835 |
72.1 |
-10.6 |
0.556 |
1 |
0 |
0 |
0.122 |
| 13 |
15 |
|
[SO4]A:448 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
21733 |
70.7 |
-9.9 |
0.574 |
1 |
0 |
0 |
0.118 |
| 14 |
16 |
|
[ACT]B:449 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
21835 |
63.8 |
0.0 |
0.732 |
1 |
0 |
0 |
0.005 |
| 15 |
17 |
|
[ACT]A:450 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
21733 |
63.3 |
-0.1 |
0.683 |
1 |
0 |
0 |
0.006 |
| 16 |
18 |
|
[SO4]B:445 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
21835 |
58.0 |
-7.8 |
0.734 |
0 |
0 |
0 |
0.086 |
| 17 |
19 |
|
[SO4]A:446 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
21733 |
54.3 |
-7.9 |
0.481 |
1 |
0 |
0 |
0.095 |
| 18 |
20 |
|
[SO4]B:447 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
21835 |
51.8 |
-6.0 |
0.872 |
2 |
0 |
0 |
0.048 |
| 19 |
21 |
|
[SO4]A:447 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
21733 |
47.7 |
-4.7 |
0.965 |
2 |
0 |
0 |
0.039 |
| 20 |
22 |
|
B |
8 |
4 |
21835 |
f |
[SO4]A:449 |
-x+1/2,y-1/2,-z+1/2 |
5_545 |
4 |
1 |
186 |
46.1 |
-5.1 |
0.782 |
1 |
0 |
0 |
0.061 |
| 21 |
23 |
|
[SO4]B:445 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
21733 |
45.5 |
-4.2 |
0.962 |
4 |
0 |
0 |
0.042 |
| 22 |
24 |
|
[SO4]A:449 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
21733 |
44.4 |
-4.9 |
0.910 |
1 |
0 |
0 |
0.000 |
| 23 |
25 |
|
[SO4]A:446 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
21835 |
42.7 |
-3.8 |
0.967 |
2 |
0 |
0 |
0.033 |
| 24 |
26 |
|
[SO4]B:446 |
4 |
1 |
184 |
◊ |
B |
-x,-y-1,z |
2_545 |
3 |
2 |
21835 |
40.5 |
-4.1 |
0.936 |
1 |
0 |
0 |
0.050 |
| 25 |
27 |
|
[SO4]B:446 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
21835 |
40.1 |
-4.2 |
0.907 |
2 |
0 |
0 |
0.056 |
| 26 |
28 |
|
[GDP]A:501 |
5 |
1 |
559 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
21835 |
31.6 |
-0.7 |
0.623 |
0 |
0 |
0 |
0.010 |
29 |
|
[GDP]B:501 |
3 |
1 |
559 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
21733 |
27.7 |
-0.6 |
0.595 |
0 |
0 |
0 |
0.010 |
| Average: |
29.6 |
-0.7 |
0.609 |
0 |
0 |
0 |
0.010 |
| 27 |
30 |
|
[SO4]A:444 |
3 |
1 |
186 |
◊ |
A |
-x,-y-1,z |
2_545 |
6 |
1 |
21733 |
31.2 |
-4.1 |
0.742 |
0 |
0 |
0 |
0.047 |
| 28 |
31 |
|
[SO4]B:444 |
4 |
1 |
185 |
◊ |
B |
-x,-y-1,z |
2_545 |
3 |
1 |
21835 |
27.0 |
-2.8 |
0.892 |
0 |
0 |
0 |
0.030 |
| 29 |
32 |
|
[SO4]A:445 |
3 |
1 |
184 |
◊ |
A |
-x,-y-1,z |
2_545 |
5 |
3 |
21733 |
19.3 |
-2.3 |
0.841 |
0 |
0 |
0 |
0.026 |
| 30 |
33 |
|
[SO4]B:445 |
1 |
1 |
185 |
◊ |
[SO4]A:446 |
x,y,z |
1_555 |
1 |
1 |
186 |
11.4 |
-2.7 |
0.800 |
0 |
0 |
0 |
0.019 |
| 31 |
34 |
|
[GDP]B:501 |
1 |
1 |
559 |
◊ |
[GDP]A:501 |
x,y,z |
1_555 |
1 |
1 |
559 |
0.1 |
-0.0 |
0.454 |
0 |
0 |
0 |
0.000 |
|