| ## |
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 |
123 |
34 |
18246 |
◊ |
C |
x,y,z-1 |
1_554 |
125 |
35 |
18522 |
1080.5 |
-9.0 |
0.301 |
12 |
2 |
0 |
0.233 |
2 |
|
B |
125 |
36 |
18778 |
◊ |
A |
x,y,z-1 |
1_554 |
128 |
36 |
18233 |
1079.9 |
-9.0 |
0.273 |
15 |
2 |
0 |
0.233 |
| Average: |
1080.2 |
-9.0 |
0.287 |
14 |
2 |
0 |
0.233 |
| 2 |
3 |
|
B |
43 |
12 |
18778 |
◊ |
A |
x,y,z |
1_555 |
39 |
11 |
18233 |
353.2 |
-0.9 |
0.579 |
1 |
1 |
0 |
0.000 |
4 |
|
D |
34 |
11 |
18246 |
◊ |
C |
x,y,z |
1_555 |
39 |
12 |
18522 |
340.4 |
0.6 |
0.738 |
4 |
3 |
0 |
0.000 |
| Average: |
346.8 |
-0.1 |
0.658 |
3 |
2 |
0 |
0.000 |
| 3 |
5 |
|
D |
40 |
11 |
18246 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
28 |
9 |
18778 |
291.4 |
-3.3 |
0.296 |
1 |
0 |
0 |
0.000 |
| 4 |
6 |
|
C |
31 |
9 |
18522 |
◊ |
D |
x-1,y,z |
1_455 |
33 |
9 |
18246 |
284.2 |
0.8 |
0.752 |
4 |
2 |
0 |
0.000 |
| 5 |
7 |
|
[2OX]C:504 |
19 |
1 |
453 |
f |
C |
x,y,z |
1_555 |
46 |
15 |
18522 |
245.6 |
-4.9 |
0.287 |
6 |
0 |
0 |
0.189 |
8 |
|
[2OX]B:504 |
19 |
1 |
447 |
f |
B |
x,y,z |
1_555 |
44 |
15 |
18778 |
243.0 |
-4.8 |
0.250 |
5 |
0 |
0 |
0.189 |
9 |
|
[2OX]A:504 |
19 |
1 |
449 |
f |
A |
x,y,z |
1_555 |
44 |
15 |
18233 |
241.8 |
-4.8 |
0.304 |
5 |
0 |
0 |
0.189 |
| Average: |
243.5 |
-4.8 |
0.280 |
5 |
0 |
0 |
0.189 |
| 6 |
10 |
|
C |
26 |
8 |
18522 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
26 |
11 |
18778 |
228.5 |
-1.2 |
0.432 |
1 |
2 |
0 |
0.000 |
| 7 |
11 |
|
[2OX]D:504 |
16 |
1 |
442 |
f |
D |
x,y,z |
1_555 |
42 |
14 |
18246 |
223.0 |
-4.7 |
0.316 |
6 |
0 |
0 |
0.118 |
| 8 |
12 |
|
B |
24 |
8 |
18778 |
x |
B |
x-1,y,z |
1_455 |
19 |
6 |
18778 |
174.0 |
0.8 |
0.710 |
2 |
1 |
0 |
0.000 |
| 9 |
13 |
|
D |
22 |
6 |
18246 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
16 |
6 |
18233 |
164.3 |
-0.3 |
0.615 |
0 |
1 |
0 |
0.000 |
| 10 |
14 |
|
A |
22 |
7 |
18233 |
◊ |
B |
x-1,y,z+1 |
1_456 |
13 |
4 |
18778 |
152.9 |
1.4 |
0.796 |
2 |
3 |
0 |
0.000 |
| 11 |
15 |
|
C |
17 |
7 |
18522 |
◊ |
B |
x-1,y,z |
1_455 |
20 |
9 |
18778 |
148.7 |
0.2 |
0.578 |
2 |
0 |
0 |
0.000 |
| 12 |
16 |
|
[IMD]D:503 |
5 |
1 |
199 |
f |
D |
x,y,z |
1_555 |
20 |
10 |
18246 |
121.6 |
4.3 |
0.427 |
1 |
0 |
0 |
0.000 |
17 |
|
[IMD]A:503 |
5 |
1 |
196 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
18233 |
119.1 |
4.3 |
0.508 |
1 |
0 |
0 |
0.000 |
| Average: |
120.4 |
4.3 |
0.468 |
1 |
0 |
0 |
0.000 |
| 13 |
18 |
|
[IMD]C:503 |
5 |
1 |
199 |
f |
C |
x,y,z |
1_555 |
22 |
11 |
18522 |
121.4 |
4.3 |
0.430 |
1 |
0 |
0 |
0.000 |
| 14 |
19 |
|
[IMD]B:503 |
5 |
1 |
197 |
f |
B |
x,y,z |
1_555 |
22 |
11 |
18778 |
120.2 |
4.3 |
0.422 |
1 |
0 |
0 |
0.000 |
| 15 |
20 |
|
[IMD]D:502 |
5 |
1 |
199 |
f |
D |
x,y,z |
1_555 |
13 |
8 |
18246 |
112.6 |
4.1 |
0.456 |
2 |
0 |
0 |
0.000 |
| 16 |
21 |
|
D |
9 |
6 |
18246 |
◊ |
B |
x,y,z-1 |
1_554 |
16 |
6 |
18778 |
101.9 |
0.0 |
0.477 |
0 |
0 |
0 |
0.000 |
| 17 |
22 |
|
C |
11 |
4 |
18522 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
18778 |
98.5 |
-2.4 |
0.183 |
0 |
0 |
0 |
0.000 |
| 18 |
23 |
|
[SO4]A:501 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
18233 |
93.4 |
-13.4 |
0.888 |
3 |
0 |
0 |
0.199 |
| 19 |
24 |
|
[SO4]D:501 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
18246 |
93.3 |
-14.4 |
0.888 |
2 |
0 |
0 |
0.244 |
| 20 |
25 |
|
[SO4]C:501 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
18522 |
92.6 |
-13.7 |
0.882 |
3 |
0 |
0 |
0.240 |
| 21 |
26 |
|
[SO4]B:502 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
18778 |
90.2 |
-13.7 |
0.875 |
3 |
0 |
0 |
0.203 |
| 22 |
27 |
|
[SO4]C:502 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
18522 |
73.6 |
-10.1 |
0.778 |
1 |
0 |
0 |
0.169 |
| 23 |
28 |
|
[SO4]B:501 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
18778 |
64.2 |
-9.0 |
0.781 |
2 |
0 |
0 |
0.133 |
| 24 |
29 |
|
[2OX]D:504 |
4 |
1 |
442 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
9 |
3 |
18233 |
56.7 |
-0.7 |
0.521 |
0 |
0 |
0 |
0.000 |
| 25 |
30 |
|
[SO4]A:502 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
18233 |
52.3 |
-7.2 |
0.726 |
1 |
0 |
0 |
0.103 |
| 26 |
31 |
|
C |
9 |
4 |
18522 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
4 |
18233 |
51.9 |
-1.1 |
0.317 |
0 |
0 |
0 |
0.000 |
| 27 |
32 |
|
A |
5 |
2 |
18233 |
x |
A |
x-1,y,z |
1_455 |
8 |
3 |
18233 |
44.4 |
-0.2 |
0.546 |
0 |
0 |
0 |
0.000 |
| 28 |
33 |
|
A |
3 |
2 |
18233 |
◊ |
[SO4]A:502 |
x-1,y,z |
1_455 |
5 |
1 |
186 |
43.7 |
-3.3 |
0.974 |
1 |
0 |
0 |
0.000 |
| 29 |
34 |
|
D |
3 |
2 |
18246 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
4 |
2 |
18778 |
40.9 |
0.1 |
0.557 |
0 |
0 |
0 |
0.000 |
| 30 |
35 |
|
D |
3 |
2 |
18246 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
5 |
2 |
18233 |
39.4 |
-0.4 |
0.348 |
0 |
0 |
0 |
0.000 |
| 31 |
36 |
|
C |
8 |
3 |
18522 |
◊ |
A |
x,y,z-1 |
1_554 |
2 |
1 |
18233 |
33.5 |
-0.1 |
0.614 |
0 |
0 |
0 |
0.000 |
| 32 |
37 |
|
[SO4]D:501 |
3 |
1 |
186 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
18233 |
25.2 |
-3.1 |
0.250 |
0 |
0 |
0 |
0.000 |
| 33 |
38 |
|
[2OX]A:504 |
3 |
1 |
449 |
f |
[SO4]A:501 |
x,y,z |
1_555 |
4 |
1 |
185 |
20.1 |
-2.6 |
0.748 |
0 |
0 |
0 |
0.035 |
| 34 |
39 |
|
[2OX]C:504 |
2 |
1 |
453 |
f |
[SO4]C:501 |
x,y,z |
1_555 |
3 |
1 |
186 |
18.3 |
-2.4 |
0.687 |
0 |
0 |
0 |
0.038 |
| 35 |
40 |
|
[2OX]B:504 |
2 |
1 |
447 |
f |
[SO4]B:502 |
x,y,z |
1_555 |
3 |
1 |
188 |
17.6 |
-2.0 |
0.824 |
0 |
0 |
0 |
0.026 |
| 36 |
41 |
|
D |
2 |
1 |
18246 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
18233 |
17.5 |
-0.1 |
0.293 |
0 |
0 |
0 |
0.000 |
| 37 |
42 |
|
D |
4 |
3 |
18246 |
◊ |
C |
x-1,y,z-1 |
1_454 |
1 |
1 |
18522 |
9.5 |
-0.2 |
0.330 |
0 |
0 |
0 |
0.000 |
| 38 |
43 |
|
[2OX]D:504 |
3 |
1 |
442 |
f |
[SO4]D:501 |
x,y,z |
1_555 |
1 |
1 |
186 |
5.2 |
-0.7 |
0.749 |
0 |
0 |
0 |
0.012 |
| 39 |
44 |
|
D |
1 |
1 |
18246 |
x |
D |
x-1,y,z |
1_455 |
1 |
1 |
18246 |
4.3 |
0.2 |
0.831 |
0 |
0 |
0 |
0.000 |
| 40 |
45 |
|
D |
1 |
1 |
18246 |
◊ |
[SO4]B:501 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
186 |
1.2 |
-0.2 |
0.710 |
0 |
0 |
0 |
0.000 |
|