## |
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 |
237 |
68 |
17218 |
◊ |
A |
x,y,z |
1_555 |
190 |
46 |
9186 |
2040.5 |
-27.8 |
0.011 |
22 |
5 |
0 |
0.257 |
2 |
|
D |
233 |
69 |
17273 |
◊ |
C |
x,y,z |
1_555 |
189 |
45 |
9013 |
2026.7 |
-28.2 |
0.009 |
23 |
4 |
0 |
0.257 |
Average: |
2033.6 |
-28.0 |
0.010 |
23 |
5 |
0 |
0.257 |
2 |
3 |
|
B |
72 |
22 |
17218 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
71 |
23 |
17273 |
730.5 |
-12.4 |
0.015 |
2 |
2 |
0 |
0.083 |
3 |
4 |
|
[NAI]B:503 |
41 |
1 |
862 |
f |
B |
x,y,z |
1_555 |
82 |
27 |
17218 |
535.0 |
-7.8 |
0.238 |
4 |
0 |
0 |
0.117 |
5 |
|
[NAI]D:503 |
41 |
1 |
860 |
f |
D |
x,y,z |
1_555 |
79 |
27 |
17273 |
527.5 |
-7.7 |
0.238 |
4 |
0 |
0 |
0.117 |
Average: |
531.2 |
-7.8 |
0.238 |
4 |
0 |
0 |
0.117 |
4 |
6 |
|
[FMN]D:502 |
31 |
1 |
615 |
f |
D |
x,y,z |
1_555 |
70 |
26 |
17273 |
353.2 |
-6.4 |
0.482 |
10 |
0 |
0 |
0.133 |
7 |
|
[FMN]B:502 |
31 |
1 |
613 |
f |
B |
x,y,z |
1_555 |
65 |
24 |
17218 |
351.2 |
-6.4 |
0.478 |
10 |
0 |
0 |
0.133 |
Average: |
352.2 |
-6.4 |
0.480 |
10 |
0 |
0 |
0.133 |
5 |
8 |
|
D |
43 |
9 |
17273 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
41 |
12 |
17218 |
346.5 |
-2.9 |
0.321 |
3 |
2 |
0 |
0.000 |
6 |
9 |
|
D |
46 |
11 |
17273 |
◊ |
A |
x-1,y,z |
1_455 |
36 |
11 |
9186 |
345.5 |
1.2 |
0.753 |
5 |
3 |
0 |
0.000 |
10 |
|
B |
41 |
10 |
17218 |
◊ |
C |
x,y,z |
1_555 |
34 |
11 |
9013 |
331.0 |
2.9 |
0.857 |
6 |
5 |
0 |
0.000 |
Average: |
338.2 |
2.0 |
0.805 |
6 |
4 |
0 |
0.000 |
7 |
11 |
|
D |
36 |
10 |
17273 |
◊ |
B |
x-1,y,z |
1_455 |
37 |
11 |
17218 |
315.7 |
-2.2 |
0.372 |
1 |
0 |
0 |
0.000 |
12 |
|
D |
33 |
8 |
17273 |
◊ |
B |
x,y,z |
1_555 |
32 |
10 |
17218 |
278.2 |
-0.8 |
0.521 |
1 |
0 |
0 |
0.000 |
Average: |
296.9 |
-1.5 |
0.447 |
1 |
0 |
0 |
0.000 |
8 |
13 |
|
A |
24 |
10 |
9186 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
25 |
9 |
17218 |
196.2 |
-1.0 |
0.517 |
3 |
0 |
0 |
0.000 |
9 |
14 |
|
[SF4]D:501 |
8 |
1 |
308 |
f |
D |
x,y,z |
1_555 |
25 |
13 |
17273 |
180.5 |
-21.0 |
0.346 |
2 |
0 |
0 |
0.269 |
15 |
|
[SF4]B:501 |
8 |
1 |
309 |
f |
B |
x,y,z |
1_555 |
25 |
13 |
17218 |
179.6 |
-21.0 |
0.353 |
2 |
0 |
0 |
0.269 |
Average: |
180.1 |
-21.0 |
0.349 |
2 |
0 |
0 |
0.269 |
10 |
16 |
|
[NAI]D:503 |
21 |
1 |
860 |
f |
[FMN]D:502 |
x,y,z |
1_555 |
24 |
1 |
615 |
167.9 |
-0.3 |
0.810 |
2 |
0 |
0 |
0.015 |
17 |
|
[NAI]B:503 |
21 |
1 |
862 |
f |
[FMN]B:502 |
x,y,z |
1_555 |
24 |
1 |
613 |
167.0 |
-0.4 |
0.801 |
2 |
0 |
0 |
0.015 |
Average: |
167.4 |
-0.3 |
0.805 |
2 |
0 |
0 |
0.015 |
11 |
18 |
|
[GOL]D:504 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
25 |
12 |
17273 |
142.3 |
-0.9 |
0.448 |
2 |
0 |
0 |
0.024 |
19 |
|
[GOL]B:504 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
26 |
12 |
17218 |
142.0 |
-1.2 |
0.430 |
2 |
0 |
0 |
0.024 |
Average: |
142.1 |
-1.1 |
0.439 |
2 |
0 |
0 |
0.024 |
12 |
20 |
|
[GOL]C:202 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
23 |
7 |
9013 |
136.4 |
-0.3 |
0.537 |
2 |
0 |
0 |
0.007 |
13 |
21 |
|
[GOL]D:506 |
6 |
1 |
217 |
f |
D |
x,y,z |
1_555 |
19 |
11 |
17273 |
123.2 |
0.4 |
0.655 |
4 |
0 |
0 |
0.009 |
14 |
22 |
|
[GOL]B:505 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
16 |
10 |
17218 |
118.1 |
0.5 |
0.650 |
5 |
0 |
0 |
0.012 |
15 |
23 |
|
[FES]C:201 |
4 |
1 |
235 |
f |
C |
x,y,z |
1_555 |
18 |
11 |
9013 |
113.7 |
-14.7 |
0.582 |
3 |
0 |
0 |
0.098 |
16 |
24 |
|
[FES]A:201 |
4 |
1 |
235 |
f |
A |
x,y,z |
1_555 |
18 |
11 |
9186 |
113.1 |
-14.6 |
0.591 |
3 |
0 |
0 |
0.107 |
17 |
25 |
|
[SO4]A:203 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
9186 |
99.1 |
-13.9 |
0.841 |
3 |
0 |
0 |
0.102 |
18 |
26 |
|
[SO4]C:203 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
9013 |
97.6 |
-14.0 |
0.836 |
4 |
0 |
0 |
0.096 |
19 |
27 |
|
[GOL]D:505 |
6 |
1 |
218 |
◊ |
D |
x,y,z |
1_555 |
10 |
3 |
17273 |
85.1 |
1.4 |
0.720 |
3 |
0 |
0 |
0.000 |
20 |
28 |
|
[SO4]D:507 |
5 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
17273 |
79.7 |
-10.9 |
0.698 |
2 |
0 |
0 |
0.072 |
21 |
29 |
|
[GOL]D:505 |
5 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
17218 |
77.4 |
-0.3 |
0.538 |
0 |
0 |
0 |
0.002 |
22 |
30 |
|
[SO4]D:507 |
4 |
1 |
183 |
◊ |
B |
x-1,y,z |
1_455 |
8 |
2 |
17218 |
73.6 |
-9.5 |
0.860 |
3 |
0 |
0 |
0.000 |
23 |
31 |
|
[NA]D:509 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
17273 |
72.4 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.149 |
32 |
|
[NA]B:507 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
17218 |
71.1 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.149 |
Average: |
71.7 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.149 |
24 |
33 |
|
B |
12 |
4 |
17218 |
x |
B |
x-1,y,z |
1_455 |
6 |
2 |
17218 |
64.7 |
0.1 |
0.558 |
0 |
0 |
0 |
0.000 |
34 |
|
D |
12 |
4 |
17273 |
x |
D |
x-1,y,z |
1_455 |
6 |
2 |
17273 |
63.4 |
0.1 |
0.581 |
0 |
0 |
0 |
0.000 |
Average: |
64.1 |
0.1 |
0.570 |
0 |
0 |
0 |
0.000 |
25 |
35 |
|
[SO4]A:202 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
9186 |
63.4 |
-7.7 |
0.918 |
3 |
0 |
0 |
0.060 |
26 |
36 |
|
[NA]D:508 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
17273 |
62.9 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.054 |
27 |
37 |
|
[SO4]C:204 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
9013 |
62.6 |
-7.6 |
0.925 |
4 |
0 |
0 |
0.057 |
28 |
38 |
|
D |
7 |
3 |
17273 |
◊ |
[NAI]B:503 |
-x,y-1/2,-z-1/2 |
3_544 |
6 |
1 |
862 |
54.6 |
1.0 |
0.715 |
0 |
0 |
0 |
0.000 |
29 |
39 |
|
[GOL]C:202 |
4 |
1 |
219 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
17273 |
53.0 |
1.0 |
0.753 |
1 |
0 |
0 |
0.000 |
30 |
40 |
|
[NA]B:506 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
17218 |
52.1 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.044 |
31 |
41 |
|
B |
3 |
1 |
17218 |
◊ |
[NA]D:508 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
125 |
30.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.017 |
32 |
42 |
|
[FES]C:201 |
2 |
1 |
235 |
◊ |
D |
x,y,z |
1_555 |
6 |
4 |
17273 |
26.0 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.016 |
33 |
43 |
|
[FES]A:201 |
2 |
1 |
235 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
17218 |
25.9 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.018 |
34 |
44 |
|
[SO4]A:202 |
1 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
17218 |
7.9 |
-1.1 |
0.573 |
0 |
0 |
0 |
0.007 |
35 |
45 |
|
[SO4]C:204 |
1 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
17273 |
6.6 |
-0.9 |
0.590 |
0 |
0 |
0 |
0.006 |
36 |
46 |
|
D |
3 |
2 |
17273 |
◊ |
[NA]B:506 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
6.5 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
37 |
47 |
|
[FMN]B:502 |
1 |
1 |
613 |
f |
[SF4]B:501 |
x,y,z |
1_555 |
1 |
1 |
309 |
2.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
48 |
|
[FMN]D:502 |
1 |
1 |
615 |
f |
[SF4]D:501 |
x,y,z |
1_555 |
1 |
1 |
308 |
2.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
Average: |
2.5 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
38 |
49 |
|
[SF4]B:501 |
1 |
1 |
309 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
17273 |
2.6 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.003 |
50 |
|
B |
1 |
1 |
17218 |
◊ |
[SF4]D:501 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
308 |
1.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
Average: |
1.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
|