| ## |
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 |
71 |
23 |
9627 |
◊ |
B |
x,y,z |
1_555 |
80 |
27 |
8874 |
739.3 |
-4.1 |
0.383 |
9 |
2 |
0 |
0.000 |
2 |
|
C |
59 |
16 |
8122 |
◊ |
A |
x,y,z |
1_555 |
54 |
14 |
8486 |
490.7 |
-0.6 |
0.546 |
9 |
3 |
0 |
0.000 |
3 |
|
A |
49 |
15 |
8486 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
45 |
14 |
9627 |
415.4 |
-3.3 |
0.333 |
4 |
1 |
0 |
0.000 |
| Average: |
548.5 |
-2.7 |
0.421 |
7 |
2 |
0 |
0.000 |
| 2 |
4 |
|
C |
64 |
20 |
8122 |
◊ |
B |
x,y,z |
1_555 |
66 |
17 |
8874 |
577.9 |
-3.9 |
0.332 |
2 |
0 |
0 |
0.000 |
5 |
|
A |
60 |
17 |
8486 |
◊ |
D |
x,y-1,z |
1_545 |
56 |
19 |
9627 |
529.8 |
-4.4 |
0.261 |
0 |
0 |
0 |
0.000 |
| Average: |
553.9 |
-4.2 |
0.296 |
1 |
0 |
0 |
0.000 |
| 3 |
6 |
|
C |
60 |
21 |
8122 |
◊ |
B |
-x+2,y-1/2,-z+1 |
2_746 |
57 |
17 |
8874 |
544.6 |
-1.3 |
0.536 |
9 |
5 |
0 |
0.074 |
| 4 |
7 |
|
D |
38 |
10 |
9627 |
◊ |
B |
x-1,y,z |
1_455 |
44 |
14 |
8874 |
395.2 |
-4.0 |
0.283 |
2 |
0 |
0 |
0.000 |
8 |
|
A |
31 |
10 |
8486 |
◊ |
C |
x-1,y,z |
1_455 |
36 |
14 |
8122 |
299.4 |
-2.9 |
0.263 |
1 |
0 |
0 |
0.000 |
| Average: |
347.3 |
-3.5 |
0.273 |
2 |
0 |
0 |
0.000 |
| 5 |
9 |
|
D |
39 |
10 |
9627 |
◊ |
A |
x,y,z |
1_555 |
42 |
10 |
8486 |
350.9 |
-1.8 |
0.451 |
8 |
5 |
0 |
0.000 |
10 |
|
C |
41 |
9 |
8122 |
◊ |
B |
x,y-1,z |
1_545 |
39 |
11 |
8874 |
346.5 |
-2.6 |
0.366 |
6 |
3 |
0 |
0.000 |
| Average: |
348.7 |
-2.2 |
0.409 |
7 |
4 |
0 |
0.000 |
| 6 |
11 |
|
C |
24 |
9 |
8122 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
23 |
8 |
8874 |
267.6 |
0.6 |
0.629 |
3 |
1 |
0 |
0.000 |
| 7 |
12 |
|
[ACT]C:205 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
30 |
12 |
8122 |
124.1 |
-1.2 |
0.530 |
1 |
0 |
0 |
0.020 |
| 8 |
13 |
|
[SO4]A:202 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
23 |
11 |
8486 |
123.2 |
-19.4 |
0.517 |
0 |
0 |
0 |
0.041 |
| 9 |
14 |
|
[ACT]D:202 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
29 |
12 |
9627 |
122.6 |
-1.7 |
0.497 |
1 |
0 |
0 |
0.011 |
| 10 |
15 |
|
[ACT]B:202 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
29 |
12 |
8874 |
120.3 |
-1.2 |
0.554 |
1 |
0 |
0 |
0.021 |
| 11 |
16 |
|
[ACT]A:203 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
25 |
11 |
8486 |
115.9 |
-1.4 |
0.472 |
1 |
0 |
0 |
0.004 |
| 12 |
17 |
|
[ACT]A:204 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
8486 |
105.8 |
-0.7 |
0.560 |
0 |
0 |
0 |
0.002 |
| 13 |
18 |
|
[GOL]C:206 |
6 |
1 |
221 |
◊ |
B |
x,y,z |
1_555 |
14 |
7 |
8874 |
97.9 |
-0.5 |
0.463 |
1 |
0 |
0 |
0.000 |
| 14 |
19 |
|
[SO4]A:201 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
8486 |
96.9 |
-13.2 |
0.839 |
4 |
0 |
0 |
0.031 |
| 15 |
20 |
|
D |
7 |
2 |
9627 |
◊ |
C |
x,y,z |
1_555 |
14 |
5 |
8122 |
96.2 |
-1.6 |
0.150 |
0 |
0 |
0 |
0.000 |
| 16 |
21 |
|
[SO4]D:201 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
9627 |
94.7 |
-13.4 |
0.681 |
2 |
0 |
0 |
0.072 |
| 17 |
22 |
|
[SO4]C:201 |
5 |
1 |
185 |
f |
B |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
5 |
8874 |
94.7 |
-12.9 |
0.918 |
5 |
0 |
0 |
0.186 |
| 18 |
23 |
|
[SO4]C:203 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
8122 |
89.4 |
-12.8 |
0.786 |
2 |
0 |
0 |
0.169 |
| 19 |
24 |
|
[GOL]A:205 |
6 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
14 |
7 |
8486 |
88.9 |
-0.6 |
0.404 |
1 |
0 |
0 |
0.000 |
| 20 |
25 |
|
[GOL]C:206 |
6 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
8122 |
86.6 |
-1.3 |
0.313 |
1 |
0 |
0 |
0.021 |
| 21 |
26 |
|
[GOL]A:206 |
5 |
1 |
218 |
f |
D |
x,y-1,z |
1_545 |
16 |
7 |
9627 |
83.4 |
-1.8 |
0.268 |
0 |
0 |
0 |
0.009 |
| 22 |
27 |
|
C |
11 |
5 |
8122 |
◊ |
[ACT]B:203 |
-x+2,y-1/2,-z+1 |
2_746 |
4 |
1 |
182 |
78.7 |
0.1 |
0.656 |
1 |
0 |
0 |
0.004 |
| 23 |
28 |
|
[GOL]A:206 |
6 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
8486 |
78.4 |
-0.2 |
0.491 |
1 |
0 |
0 |
0.000 |
| 24 |
29 |
|
[GOL]A:205 |
5 |
1 |
219 |
f |
D |
x,y-1,z |
1_545 |
13 |
5 |
9627 |
73.9 |
-1.4 |
0.308 |
0 |
0 |
0 |
0.007 |
| 25 |
30 |
|
[ACT]B:203 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
8874 |
73.1 |
-0.9 |
0.473 |
1 |
0 |
0 |
0.017 |
| 26 |
31 |
|
[CL]B:204 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
8874 |
72.4 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.140 |
| 27 |
32 |
|
[SO4]B:201 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
8874 |
70.9 |
-9.7 |
0.760 |
0 |
0 |
0 |
0.120 |
| 28 |
33 |
|
[SO4]C:202 |
5 |
1 |
186 |
f |
B |
-x+2,y-1/2,-z+1 |
2_746 |
11 |
6 |
8874 |
70.3 |
-9.2 |
0.815 |
2 |
0 |
0 |
0.124 |
| 29 |
34 |
|
[SO4]C:204 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
3 |
8486 |
62.7 |
-8.7 |
0.598 |
0 |
0 |
0 |
0.018 |
| 30 |
35 |
|
[SO4]C:202 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
8122 |
52.6 |
-6.2 |
0.831 |
1 |
0 |
0 |
0.082 |
| 31 |
36 |
|
C |
8 |
4 |
8122 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
9627 |
46.8 |
0.2 |
0.530 |
0 |
0 |
0 |
0.000 |
| 32 |
37 |
|
[GOL]A:206 |
3 |
1 |
218 |
f |
[GOL]A:205 |
x,y,z |
1_555 |
4 |
1 |
219 |
32.3 |
0.2 |
0.568 |
1 |
0 |
0 |
0.001 |
| 33 |
38 |
|
[SO4]C:204 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
8122 |
32.2 |
-3.6 |
0.962 |
1 |
0 |
0 |
0.000 |
| 34 |
39 |
|
[SO4]C:203 |
4 |
1 |
187 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
2 |
8874 |
26.3 |
-3.2 |
0.533 |
0 |
0 |
0 |
0.000 |
| 35 |
40 |
|
C |
1 |
1 |
8122 |
◊ |
[SO4]B:201 |
-x+2,y-1/2,-z+1 |
2_746 |
4 |
1 |
186 |
23.6 |
-1.4 |
0.991 |
1 |
0 |
0 |
0.022 |
| 36 |
41 |
|
[ACT]A:203 |
3 |
1 |
183 |
f |
[SO4]A:202 |
x,y,z |
1_555 |
4 |
1 |
185 |
19.2 |
-2.1 |
0.828 |
0 |
0 |
0 |
0.004 |
| 37 |
42 |
|
A |
4 |
2 |
8486 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
8874 |
16.9 |
0.1 |
0.598 |
0 |
0 |
0 |
0.000 |
| 38 |
43 |
|
A |
3 |
1 |
8486 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
9627 |
12.5 |
0.2 |
0.704 |
0 |
0 |
0 |
0.000 |
| 39 |
44 |
|
C |
3 |
2 |
8122 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
2 |
9627 |
11.5 |
-0.2 |
0.447 |
0 |
0 |
0 |
0.000 |
| 40 |
45 |
|
[SO4]C:204 |
1 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
9627 |
4.0 |
-0.5 |
0.709 |
0 |
0 |
0 |
0.000 |
| 41 |
46 |
|
[SO4]C:201 |
1 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
8122 |
3.3 |
-0.4 |
0.861 |
0 |
0 |
0 |
0.000 |
|