## |
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 |
|
B |
69 |
23 |
12107 |
◊ |
A |
x,y,z |
1_555 |
70 |
25 |
12424 |
694.6 |
-1.3 |
0.457 |
15 |
2 |
0 |
0.000 |
2 |
2 |
|
C |
63 |
21 |
12595 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
65 |
22 |
12671 |
635.6 |
-0.5 |
0.538 |
12 |
2 |
0 |
0.000 |
3 |
3 |
|
D |
69 |
21 |
12671 |
◊ |
A |
x-1,y,z |
1_455 |
62 |
14 |
12424 |
632.3 |
-4.4 |
0.234 |
4 |
0 |
0 |
0.000 |
4 |
4 |
|
D |
60 |
19 |
12671 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
50 |
15 |
12107 |
473.9 |
-3.1 |
0.273 |
8 |
0 |
0 |
0.000 |
5 |
5 |
|
C |
49 |
15 |
12595 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
42 |
13 |
12424 |
448.3 |
-1.5 |
0.407 |
7 |
0 |
0 |
0.000 |
6 |
6 |
|
C |
38 |
11 |
12595 |
◊ |
B |
x,y,z |
1_555 |
40 |
12 |
12107 |
396.2 |
-1.3 |
0.432 |
4 |
3 |
0 |
0.000 |
7 |
7 |
|
D |
44 |
13 |
12671 |
◊ |
A |
x,y,z |
1_555 |
40 |
11 |
12424 |
387.0 |
-2.2 |
0.349 |
3 |
2 |
0 |
0.000 |
8 |
8 |
|
C |
40 |
12 |
12595 |
◊ |
B |
x-1,y,z |
1_455 |
44 |
12 |
12107 |
363.8 |
-1.3 |
0.435 |
5 |
0 |
0 |
0.000 |
9 |
9 |
|
B |
37 |
12 |
12107 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
41 |
10 |
12671 |
359.8 |
-2.1 |
0.346 |
4 |
1 |
0 |
0.000 |
10 |
10 |
|
[MZM]D:301 |
14 |
1 |
380 |
f |
D |
x,y,z |
1_555 |
29 |
14 |
12671 |
221.7 |
2.0 |
0.322 |
7 |
0 |
0 |
0.004 |
11 |
|
[MZM]C:301 |
14 |
1 |
380 |
f |
C |
x,y,z |
1_555 |
28 |
14 |
12595 |
214.9 |
1.6 |
0.332 |
7 |
0 |
0 |
0.004 |
12 |
|
[MZM]A:301 |
14 |
1 |
381 |
f |
A |
x,y,z |
1_555 |
29 |
13 |
12424 |
211.3 |
0.3 |
0.163 |
7 |
0 |
0 |
0.004 |
Average: |
216.0 |
1.3 |
0.272 |
7 |
0 |
0 |
0.004 |
11 |
13 |
|
[MZM]B:302 |
14 |
1 |
377 |
f |
B |
x,y,z |
1_555 |
26 |
13 |
12107 |
210.9 |
1.1 |
0.286 |
4 |
0 |
0 |
0.000 |
12 |
14 |
|
C |
17 |
4 |
12595 |
◊ |
A |
x-1,y,z |
1_455 |
26 |
8 |
12424 |
189.0 |
-1.1 |
0.413 |
4 |
0 |
0 |
0.000 |
13 |
15 |
|
C |
17 |
5 |
12595 |
◊ |
A |
x,y,z |
1_555 |
19 |
5 |
12424 |
145.6 |
-0.5 |
0.504 |
2 |
1 |
0 |
0.000 |
14 |
16 |
|
[GOL]C:306 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
19 |
6 |
12595 |
122.9 |
-0.8 |
0.483 |
2 |
0 |
0 |
0.002 |
15 |
17 |
|
[GOL]B:301 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
12107 |
119.9 |
-0.3 |
0.461 |
0 |
0 |
0 |
0.000 |
16 |
18 |
|
B |
10 |
2 |
12107 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
14 |
5 |
12424 |
112.0 |
0.4 |
0.589 |
2 |
0 |
0 |
0.000 |
17 |
19 |
|
[GOL]C:307 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
18 |
9 |
12595 |
109.3 |
0.8 |
0.675 |
5 |
0 |
0 |
0.002 |
18 |
20 |
|
[GOL]B:307 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
12107 |
108.9 |
-0.4 |
0.501 |
4 |
0 |
0 |
0.003 |
19 |
21 |
|
[ACT]D:305 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
24 |
9 |
12671 |
107.0 |
-1.0 |
0.526 |
1 |
0 |
0 |
0.002 |
20 |
22 |
|
[GOL]A:305 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
12424 |
105.9 |
-0.2 |
0.500 |
4 |
0 |
0 |
0.003 |
21 |
23 |
|
C |
10 |
2 |
12595 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
13 |
5 |
12424 |
98.8 |
-0.2 |
0.509 |
1 |
0 |
0 |
0.000 |
22 |
24 |
|
[SO4]C:304 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
12595 |
93.7 |
-14.3 |
0.649 |
3 |
0 |
0 |
0.021 |
23 |
25 |
|
[SO4]C:303 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
16 |
5 |
12595 |
92.5 |
-13.7 |
0.764 |
3 |
0 |
0 |
0.020 |
24 |
26 |
|
[SO4]D:303 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
16 |
5 |
12671 |
91.7 |
-13.9 |
0.764 |
3 |
0 |
0 |
0.021 |
25 |
27 |
|
[SO4]B:304 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
12107 |
90.8 |
-13.9 |
0.752 |
3 |
0 |
0 |
0.021 |
26 |
28 |
|
[SO4]A:303 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
12424 |
88.9 |
-13.1 |
0.567 |
1 |
0 |
0 |
0.019 |
27 |
29 |
|
[SO4]B:305 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
12107 |
88.2 |
-13.2 |
0.630 |
4 |
0 |
0 |
0.021 |
28 |
30 |
|
[SO4]D:304 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
12671 |
87.4 |
-12.9 |
0.646 |
4 |
0 |
0 |
0.021 |
29 |
31 |
|
[SO4]A:304 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
12424 |
83.8 |
-12.1 |
0.635 |
3 |
0 |
0 |
0.019 |
30 |
32 |
|
D |
8 |
4 |
12671 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
12107 |
81.6 |
0.4 |
0.661 |
1 |
0 |
0 |
0.000 |
31 |
33 |
|
D |
10 |
4 |
12671 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
12595 |
77.5 |
0.6 |
0.685 |
1 |
0 |
0 |
0.000 |
32 |
34 |
|
[ACT]B:306 |
4 |
1 |
180 |
f |
D |
-x+1/2,-y,z-1/2 |
2_554 |
10 |
4 |
12671 |
70.6 |
0.1 |
0.669 |
0 |
0 |
0 |
0.000 |
33 |
35 |
|
D |
5 |
3 |
12671 |
◊ |
[GOL]B:307 |
x-1/2,-y-1/2,-z |
4_445 |
6 |
1 |
219 |
64.7 |
-0.5 |
0.426 |
2 |
0 |
0 |
0.000 |
36 |
|
C |
5 |
3 |
12595 |
◊ |
[GOL]A:305 |
x-1/2,-y+1/2,-z |
4_455 |
6 |
1 |
219 |
58.4 |
-0.3 |
0.490 |
2 |
0 |
0 |
0.000 |
Average: |
61.6 |
-0.4 |
0.458 |
2 |
0 |
0 |
0.000 |
34 |
37 |
|
[ACT]C:305 |
4 |
1 |
184 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
6 |
3 |
12424 |
56.5 |
1.5 |
0.854 |
2 |
0 |
0 |
0.000 |
35 |
38 |
|
[ACT]C:305 |
3 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
12595 |
51.4 |
0.0 |
0.722 |
1 |
0 |
0 |
0.000 |
36 |
39 |
|
[GOL]B:301 |
4 |
1 |
220 |
f |
[MZM]B:302 |
x,y,z |
1_555 |
9 |
1 |
377 |
51.0 |
-0.3 |
0.231 |
0 |
0 |
0 |
0.000 |
37 |
40 |
|
[ZN]D:302 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
5 |
12671 |
37.1 |
-26.1 |
0.000 |
0 |
0 |
0 |
0.038 |
41 |
|
[ZN]A:302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
12424 |
36.8 |
-27.1 |
0.000 |
0 |
0 |
0 |
0.038 |
42 |
|
[ZN]C:302 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
4 |
12595 |
36.5 |
-26.1 |
0.000 |
0 |
0 |
0 |
0.038 |
43 |
|
[ZN]B:303 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
12107 |
33.5 |
-24.0 |
0.000 |
0 |
0 |
0 |
0.038 |
Average: |
36.0 |
-25.8 |
0.000 |
0 |
0 |
0 |
0.038 |
38 |
44 |
|
[ACT]B:306 |
4 |
1 |
180 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
12107 |
33.7 |
0.6 |
0.827 |
0 |
0 |
0 |
0.000 |
39 |
45 |
|
D |
4 |
2 |
12671 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
1 |
12107 |
31.4 |
-0.0 |
0.457 |
0 |
0 |
0 |
0.000 |
40 |
46 |
|
[ZN]A:302 |
1 |
1 |
98 |
f |
[MZM]A:301 |
x,y,z |
1_555 |
4 |
1 |
381 |
31.2 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.018 |
47 |
|
[ZN]C:302 |
1 |
1 |
98 |
f |
[MZM]C:301 |
x,y,z |
1_555 |
4 |
1 |
380 |
31.1 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.018 |
48 |
|
[ZN]D:302 |
1 |
1 |
98 |
f |
[MZM]D:301 |
x,y,z |
1_555 |
4 |
1 |
380 |
30.6 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.018 |
49 |
|
[ZN]B:303 |
1 |
1 |
98 |
f |
[MZM]B:302 |
x,y,z |
1_555 |
3 |
1 |
377 |
29.4 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.018 |
Average: |
30.6 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.018 |
41 |
50 |
|
[SO4]D:304 |
4 |
1 |
185 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
1 |
12424 |
27.2 |
-2.7 |
0.891 |
0 |
0 |
0 |
0.000 |
42 |
51 |
|
C |
2 |
2 |
12595 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
3 |
2 |
12671 |
17.0 |
0.0 |
0.527 |
0 |
0 |
0 |
0.000 |
43 |
52 |
|
B |
3 |
1 |
12107 |
◊ |
C |
-x+1,y-1/2,-z-1/2 |
3_644 |
2 |
2 |
12595 |
12.4 |
-0.2 |
0.462 |
0 |
0 |
0 |
0.000 |
44 |
53 |
|
C |
4 |
3 |
12595 |
◊ |
[ACT]D:305 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
183 |
9.7 |
-0.2 |
0.508 |
0 |
0 |
0 |
0.000 |
45 |
54 |
|
[GOL]B:301 |
1 |
1 |
220 |
f |
[ZN]B:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.005 |
46 |
55 |
|
[GOL]C:307 |
1 |
1 |
218 |
f |
[SO4]C:304 |
x,y,z |
1_555 |
1 |
1 |
184 |
4.7 |
-0.5 |
0.632 |
0 |
0 |
0 |
0.000 |
|