## |
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 |
|
x |
69 |
6 |
1712 |
◊ |
C |
x,y,z |
1_555 |
85 |
27 |
15257 |
646.6 |
-11.5 |
0.562 |
11 |
0 |
0 |
0.149 |
2 |
|
y |
48 |
5 |
1413 |
◊ |
D |
x,y,z |
1_555 |
56 |
18 |
15419 |
455.8 |
-8.8 |
0.572 |
5 |
0 |
0 |
0.149 |
Average: |
551.2 |
-10.2 |
0.567 |
8 |
0 |
0 |
0.149 |
2 |
3 |
|
E |
65 |
16 |
15431 |
◊ |
B |
x,y,z |
1_555 |
66 |
18 |
15455 |
617.1 |
-4.6 |
0.261 |
13 |
4 |
0 |
0.000 |
3 |
4 |
|
D |
72 |
24 |
15419 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
64 |
16 |
15198 |
611.9 |
-4.4 |
0.306 |
14 |
2 |
0 |
0.000 |
5 |
|
B |
58 |
15 |
15455 |
◊ |
A |
x,y,z |
1_555 |
68 |
20 |
15198 |
591.6 |
-5.1 |
0.215 |
15 |
2 |
0 |
0.000 |
6 |
|
D |
60 |
16 |
15419 |
◊ |
C |
-x+3/2,-y-1,z-1/2 |
2_644 |
69 |
21 |
15257 |
589.2 |
-4.9 |
0.233 |
14 |
2 |
0 |
0.000 |
7 |
|
E |
69 |
21 |
15431 |
◊ |
C |
x-1/2,-y-3/2,-z |
4_435 |
60 |
16 |
15257 |
577.5 |
-4.7 |
0.247 |
12 |
3 |
0 |
0.000 |
Average: |
592.5 |
-4.8 |
0.250 |
14 |
2 |
0 |
0.000 |
4 |
8 |
|
C |
62 |
24 |
15257 |
◊ |
B |
x,y,z |
1_555 |
63 |
23 |
15455 |
580.0 |
0.9 |
0.729 |
5 |
2 |
0 |
0.000 |
5 |
9 |
|
E |
40 |
16 |
15431 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
43 |
14 |
15198 |
394.3 |
-0.3 |
0.600 |
3 |
2 |
0 |
0.000 |
10 |
|
E |
38 |
13 |
15431 |
◊ |
D |
x,y,z |
1_555 |
36 |
13 |
15419 |
339.9 |
-2.0 |
0.411 |
1 |
0 |
0 |
0.000 |
Average: |
367.1 |
-1.1 |
0.505 |
2 |
1 |
0 |
0.000 |
6 |
11 |
|
E |
38 |
11 |
15431 |
◊ |
D |
x-1,y,z |
1_455 |
41 |
12 |
15419 |
326.5 |
4.4 |
0.873 |
4 |
2 |
0 |
0.000 |
7 |
12 |
|
A |
27 |
9 |
15198 |
◊ |
B |
x-1,y,z |
1_455 |
28 |
7 |
15455 |
237.6 |
-0.0 |
0.519 |
3 |
0 |
0 |
0.000 |
8 |
13 |
|
C |
15 |
3 |
15257 |
x |
C |
x-1/2,-y-3/2,-z |
4_435 |
16 |
4 |
15257 |
123.8 |
-1.6 |
0.351 |
1 |
0 |
0 |
0.000 |
9 |
14 |
|
A |
16 |
4 |
15198 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
13 |
2 |
15455 |
105.2 |
-0.9 |
0.357 |
0 |
0 |
0 |
0.000 |
10 |
15 |
|
B |
15 |
5 |
15455 |
◊ |
x |
x-1/2,-y-3/2,-z |
4_435 |
16 |
4 |
1712 |
104.5 |
-3.0 |
0.561 |
2 |
0 |
0 |
0.000 |
11 |
16 |
|
[SO4]D:405 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
17 |
5 |
15419 |
96.3 |
-13.6 |
0.795 |
2 |
0 |
0 |
0.125 |
12 |
17 |
|
[SO4]A:404 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
15198 |
93.1 |
-13.1 |
0.518 |
1 |
0 |
0 |
0.017 |
13 |
18 |
|
[SO4]B:405 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
15455 |
91.6 |
-12.3 |
0.481 |
0 |
0 |
0 |
0.014 |
14 |
19 |
|
[SO4]E:403 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
17 |
9 |
15431 |
87.9 |
-12.5 |
0.812 |
4 |
0 |
0 |
0.021 |
15 |
20 |
|
[SO4]B:403 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
15455 |
87.3 |
-12.6 |
0.858 |
4 |
0 |
0 |
0.016 |
16 |
21 |
|
[SO4]C:403 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
15257 |
87.0 |
-12.9 |
0.854 |
3 |
0 |
0 |
0.129 |
17 |
22 |
|
[SO4]A:403 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
15198 |
86.8 |
-12.9 |
0.848 |
4 |
0 |
0 |
0.018 |
18 |
23 |
|
[SO4]C:405 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
15257 |
86.1 |
-11.1 |
0.880 |
4 |
0 |
0 |
0.117 |
19 |
24 |
|
[SO4]D:403 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
15419 |
85.2 |
-12.7 |
0.830 |
3 |
0 |
0 |
0.121 |
20 |
25 |
|
D |
9 |
6 |
15419 |
◊ |
B |
x,y,z |
1_555 |
16 |
8 |
15455 |
77.4 |
1.4 |
0.795 |
0 |
0 |
0 |
0.000 |
21 |
26 |
|
B |
7 |
2 |
15455 |
◊ |
C |
x-1/2,-y-3/2,-z |
4_435 |
8 |
3 |
15257 |
75.4 |
0.6 |
0.744 |
0 |
0 |
0 |
0.000 |
27 |
|
A |
5 |
2 |
15198 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
15257 |
27.9 |
0.0 |
0.606 |
0 |
0 |
0 |
0.000 |
Average: |
51.6 |
0.3 |
0.675 |
0 |
0 |
0 |
0.000 |
22 |
28 |
|
[SO4]C:404 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
15257 |
73.7 |
-10.0 |
0.687 |
2 |
0 |
0 |
0.099 |
23 |
29 |
|
D |
8 |
4 |
15419 |
f |
[SO4]C:406 |
-x+3/2,-y-1,z-1/2 |
2_644 |
5 |
1 |
185 |
72.0 |
-9.8 |
0.560 |
1 |
0 |
0 |
0.088 |
24 |
30 |
|
[SO4]D:404 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
15419 |
70.8 |
-9.1 |
0.805 |
4 |
0 |
0 |
0.094 |
25 |
31 |
|
D |
9 |
4 |
15419 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
7 |
4 |
15198 |
68.9 |
-1.2 |
0.256 |
0 |
0 |
0 |
0.000 |
26 |
32 |
|
[SO4]B:404 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
15455 |
65.5 |
-9.4 |
0.627 |
1 |
0 |
0 |
0.011 |
27 |
33 |
|
[FE2]A:401 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
15198 |
62.5 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.083 |
34 |
|
[FE2]E:401 |
1 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
10 |
5 |
15431 |
62.2 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.083 |
35 |
|
[FE2]B:401 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
15455 |
61.6 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.083 |
36 |
|
[FE2]D:401 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
15419 |
50.2 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.083 |
37 |
|
[FE2]C:401 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
15257 |
50.0 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.083 |
Average: |
57.3 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.083 |
28 |
38 |
|
[SO4]B:404 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
7 |
5 |
15257 |
56.1 |
-7.4 |
0.660 |
1 |
0 |
0 |
0.000 |
29 |
39 |
|
[SO4]C:406 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
15257 |
55.5 |
-7.1 |
0.844 |
2 |
0 |
0 |
0.000 |
30 |
40 |
|
[ZN]E:402 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
7 |
4 |
15431 |
40.2 |
-30.0 |
0.000 |
0 |
0 |
0 |
0.219 |
41 |
|
[ZN]A:402 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
15198 |
40.1 |
-30.2 |
0.000 |
0 |
0 |
0 |
0.219 |
42 |
|
[ZN]B:402 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
15455 |
39.5 |
-30.2 |
0.000 |
0 |
0 |
0 |
0.219 |
43 |
|
[ZN]C:402 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
15257 |
32.5 |
-24.0 |
0.000 |
0 |
0 |
0 |
0.219 |
44 |
|
[ZN]D:402 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
15419 |
32.2 |
-24.1 |
0.000 |
0 |
0 |
0 |
0.219 |
Average: |
36.9 |
-27.7 |
0.000 |
0 |
0 |
0 |
0.219 |
31 |
45 |
|
[FE2]C:401 |
1 |
1 |
137 |
◊ |
x |
x,y,z |
1_555 |
4 |
1 |
1712 |
34.0 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.040 |
46 |
|
[FE2]D:401 |
1 |
1 |
137 |
◊ |
y |
x,y,z |
1_555 |
4 |
1 |
1413 |
33.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.040 |
Average: |
33.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.040 |
32 |
47 |
|
E |
2 |
1 |
15431 |
◊ |
y |
-x+1,y-1/2,-z-1/2 |
3_644 |
7 |
2 |
1413 |
30.5 |
-1.8 |
0.219 |
0 |
0 |
0 |
0.000 |
33 |
48 |
|
[SO4]B:405 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
15257 |
28.2 |
-3.0 |
0.923 |
0 |
0 |
0 |
0.000 |
34 |
49 |
|
[ZN]C:402 |
1 |
1 |
98 |
◊ |
x |
x,y,z |
1_555 |
4 |
1 |
1712 |
24.8 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.088 |
50 |
|
[ZN]D:402 |
1 |
1 |
98 |
◊ |
y |
x,y,z |
1_555 |
4 |
1 |
1413 |
22.4 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.088 |
Average: |
23.6 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.088 |
35 |
51 |
|
E |
3 |
1 |
15431 |
◊ |
D |
-x+1,y-1/2,-z-1/2 |
3_644 |
6 |
2 |
15419 |
24.1 |
-0.0 |
0.611 |
0 |
0 |
0 |
0.000 |
36 |
52 |
|
[ZN]E:402 |
1 |
1 |
98 |
f |
[FE2]E:401 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.2 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.017 |
37 |
53 |
|
[ZN]B:402 |
1 |
1 |
98 |
f |
[FE2]B:401 |
x,y,z |
1_555 |
1 |
1 |
137 |
21.7 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.012 |
38 |
54 |
|
[ZN]A:402 |
1 |
1 |
98 |
f |
[FE2]A:401 |
x,y,z |
1_555 |
1 |
1 |
137 |
21.6 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.014 |
39 |
55 |
|
[ZN]D:402 |
1 |
1 |
98 |
f |
[FE2]D:401 |
x,y,z |
1_555 |
1 |
1 |
137 |
17.1 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.075 |
40 |
56 |
|
[ZN]C:402 |
1 |
1 |
98 |
f |
[FE2]C:401 |
x,y,z |
1_555 |
1 |
1 |
137 |
16.4 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.075 |
41 |
57 |
|
B |
1 |
1 |
15455 |
◊ |
[SO4]C:405 |
x-1/2,-y-3/2,-z |
4_435 |
1 |
1 |
185 |
2.3 |
-0.3 |
0.875 |
0 |
0 |
0 |
0.000 |
|