## |
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 |
238 |
69 |
17053 |
◊ |
A |
x,y,z |
1_555 |
187 |
46 |
8957 |
2025.8 |
-27.4 |
0.014 |
23 |
4 |
0 |
0.257 |
2 |
|
D |
236 |
69 |
17212 |
◊ |
C |
x,y,z |
1_555 |
185 |
45 |
8945 |
2021.7 |
-28.3 |
0.007 |
22 |
4 |
0 |
0.257 |
Average: |
2023.7 |
-27.8 |
0.010 |
23 |
4 |
0 |
0.257 |
2 |
3 |
|
B |
71 |
22 |
17053 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
71 |
21 |
17212 |
727.4 |
-12.3 |
0.015 |
2 |
2 |
0 |
0.080 |
3 |
4 |
|
[NAI]D:503 |
41 |
1 |
859 |
f |
D |
x,y,z |
1_555 |
80 |
27 |
17212 |
533.0 |
-7.9 |
0.209 |
4 |
0 |
0 |
0.115 |
5 |
|
[NAI]B:503 |
40 |
1 |
862 |
f |
B |
x,y,z |
1_555 |
82 |
27 |
17053 |
530.9 |
-7.9 |
0.245 |
4 |
0 |
0 |
0.115 |
Average: |
531.9 |
-7.9 |
0.227 |
4 |
0 |
0 |
0.115 |
4 |
6 |
|
D |
44 |
9 |
17212 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
45 |
13 |
17053 |
381.2 |
-3.3 |
0.292 |
1 |
1 |
0 |
0.000 |
5 |
7 |
|
[FMN]D:502 |
31 |
1 |
612 |
f |
D |
x,y,z |
1_555 |
64 |
21 |
17212 |
349.6 |
-6.4 |
0.472 |
9 |
0 |
0 |
0.128 |
8 |
|
[FMN]B:502 |
31 |
1 |
613 |
f |
B |
x,y,z |
1_555 |
68 |
25 |
17053 |
349.0 |
-6.4 |
0.483 |
11 |
0 |
0 |
0.128 |
Average: |
349.3 |
-6.4 |
0.478 |
10 |
0 |
0 |
0.128 |
6 |
9 |
|
D |
44 |
11 |
17212 |
◊ |
A |
x-1,y,z |
1_455 |
37 |
11 |
8957 |
344.0 |
1.3 |
0.768 |
6 |
3 |
0 |
0.000 |
10 |
|
B |
39 |
10 |
17053 |
◊ |
C |
x,y,z |
1_555 |
33 |
11 |
8945 |
332.7 |
3.3 |
0.875 |
6 |
5 |
0 |
0.000 |
Average: |
338.3 |
2.3 |
0.821 |
6 |
4 |
0 |
0.000 |
7 |
11 |
|
D |
37 |
10 |
17212 |
◊ |
B |
x-1,y,z |
1_455 |
38 |
11 |
17053 |
301.4 |
-1.5 |
0.456 |
1 |
0 |
0 |
0.000 |
12 |
|
D |
35 |
8 |
17212 |
◊ |
B |
x,y,z |
1_555 |
34 |
10 |
17053 |
286.2 |
-0.6 |
0.550 |
1 |
0 |
0 |
0.000 |
Average: |
293.8 |
-1.0 |
0.503 |
1 |
0 |
0 |
0.000 |
8 |
13 |
|
A |
24 |
9 |
8957 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
23 |
8 |
17053 |
207.2 |
-1.1 |
0.495 |
2 |
0 |
0 |
0.000 |
9 |
14 |
|
[SF4]D:501 |
8 |
1 |
309 |
f |
D |
x,y,z |
1_555 |
22 |
13 |
17212 |
178.9 |
-21.0 |
0.331 |
2 |
0 |
0 |
0.259 |
15 |
|
[SF4]B:501 |
8 |
1 |
309 |
f |
B |
x,y,z |
1_555 |
26 |
13 |
17053 |
178.8 |
-20.9 |
0.374 |
2 |
0 |
0 |
0.259 |
Average: |
178.8 |
-20.9 |
0.353 |
2 |
0 |
0 |
0.259 |
10 |
16 |
|
[NAI]B:503 |
21 |
1 |
862 |
f |
[FMN]B:502 |
x,y,z |
1_555 |
23 |
1 |
613 |
167.6 |
-0.3 |
0.803 |
2 |
0 |
0 |
0.014 |
17 |
|
[NAI]D:503 |
21 |
1 |
859 |
f |
[FMN]D:502 |
x,y,z |
1_555 |
24 |
1 |
612 |
167.4 |
-0.3 |
0.806 |
2 |
0 |
0 |
0.014 |
Average: |
167.5 |
-0.3 |
0.805 |
2 |
0 |
0 |
0.014 |
11 |
18 |
|
[GOL]D:504 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
25 |
13 |
17212 |
142.9 |
-0.9 |
0.462 |
2 |
0 |
0 |
0.023 |
19 |
|
[GOL]B:504 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
26 |
12 |
17053 |
140.7 |
-1.1 |
0.431 |
2 |
0 |
0 |
0.023 |
Average: |
141.8 |
-1.0 |
0.447 |
2 |
0 |
0 |
0.023 |
12 |
20 |
|
[GOL]B:505 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
16 |
10 |
17053 |
117.4 |
0.6 |
0.649 |
5 |
0 |
0 |
0.011 |
13 |
21 |
|
[FES]A:201 |
4 |
1 |
235 |
f |
A |
x,y,z |
1_555 |
17 |
10 |
8957 |
113.8 |
-14.7 |
0.581 |
2 |
0 |
0 |
0.105 |
14 |
22 |
|
[FES]C:201 |
4 |
1 |
234 |
f |
C |
x,y,z |
1_555 |
18 |
10 |
8945 |
112.8 |
-14.6 |
0.583 |
2 |
0 |
0 |
0.092 |
15 |
23 |
|
[SO4]A:203 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
8957 |
100.4 |
-14.1 |
0.854 |
4 |
0 |
0 |
0.107 |
16 |
24 |
|
[SO4]C:202 |
5 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
8945 |
97.7 |
-14.0 |
0.840 |
4 |
0 |
0 |
0.094 |
17 |
25 |
|
[GOL]D:505 |
6 |
1 |
218 |
◊ |
D |
x,y,z |
1_555 |
10 |
3 |
17212 |
87.0 |
1.5 |
0.768 |
3 |
0 |
0 |
0.000 |
18 |
26 |
|
[GOL]D:505 |
5 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
17053 |
82.1 |
0.0 |
0.582 |
0 |
0 |
0 |
0.000 |
19 |
27 |
|
[SO4]D:506 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
17212 |
76.3 |
-10.0 |
0.780 |
2 |
0 |
0 |
0.065 |
20 |
28 |
|
[SO4]D:506 |
5 |
1 |
184 |
◊ |
B |
x-1,y,z |
1_455 |
8 |
2 |
17053 |
73.3 |
-9.4 |
0.847 |
3 |
0 |
0 |
0.000 |
21 |
29 |
|
[NA]D:509 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
17212 |
72.2 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.132 |
30 |
|
[NA]B:508 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
17053 |
71.6 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.132 |
Average: |
71.9 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.132 |
22 |
31 |
|
D |
12 |
4 |
17212 |
x |
D |
x-1,y,z |
1_455 |
7 |
2 |
17212 |
68.3 |
-0.0 |
0.542 |
0 |
0 |
0 |
0.000 |
32 |
|
B |
11 |
3 |
17053 |
x |
B |
x-1,y,z |
1_455 |
8 |
3 |
17053 |
67.5 |
-0.0 |
0.528 |
0 |
0 |
0 |
0.000 |
Average: |
67.9 |
-0.0 |
0.535 |
0 |
0 |
0 |
0.000 |
23 |
33 |
|
[NA]D:508 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
17212 |
64.1 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.056 |
24 |
34 |
|
[SO4]A:202 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
8957 |
63.7 |
-7.7 |
0.922 |
3 |
0 |
0 |
0.061 |
25 |
35 |
|
[NA]D:507 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
17212 |
63.4 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.054 |
26 |
36 |
|
[SO4]C:203 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
7 |
2 |
8945 |
63.0 |
-7.7 |
0.912 |
3 |
0 |
0 |
0.054 |
27 |
37 |
|
D |
8 |
2 |
17212 |
◊ |
[NAI]B:503 |
-x,y-1/2,-z-1/2 |
3_544 |
6 |
1 |
862 |
59.5 |
0.9 |
0.637 |
0 |
0 |
0 |
0.000 |
28 |
38 |
|
[GOL]B:506 |
4 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
17053 |
56.2 |
1.5 |
0.787 |
2 |
0 |
0 |
0.000 |
29 |
39 |
|
[NA]B:507 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
17053 |
53.7 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.046 |
30 |
40 |
|
[GOL]B:506 |
4 |
1 |
219 |
f |
B |
x-1,y,z |
1_455 |
7 |
3 |
17053 |
37.3 |
-0.6 |
0.443 |
0 |
0 |
0 |
0.004 |
31 |
41 |
|
B |
3 |
1 |
17053 |
◊ |
[NA]D:507 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
125 |
29.7 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.015 |
32 |
42 |
|
[FES]C:201 |
2 |
1 |
234 |
◊ |
D |
x,y,z |
1_555 |
8 |
5 |
17212 |
26.9 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.016 |
33 |
43 |
|
[FES]A:201 |
2 |
1 |
235 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
17053 |
26.4 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.018 |
34 |
44 |
|
[SO4]A:202 |
1 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
17053 |
6.8 |
-0.9 |
0.583 |
0 |
0 |
0 |
0.006 |
35 |
45 |
|
[SO4]C:203 |
1 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
17212 |
6.4 |
-0.9 |
0.591 |
0 |
0 |
0 |
0.005 |
36 |
46 |
|
D |
3 |
2 |
17212 |
◊ |
[NA]B:507 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
6.3 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
37 |
47 |
|
[SF4]B:501 |
1 |
1 |
309 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
17212 |
3.7 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.004 |
48 |
|
B |
1 |
1 |
17053 |
◊ |
[SF4]D:501 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
309 |
2.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.004 |
Average: |
3.0 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.004 |
38 |
49 |
|
[FMN]D:502 |
1 |
1 |
612 |
f |
[SF4]D:501 |
x,y,z |
1_555 |
1 |
1 |
309 |
2.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
50 |
|
[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 |
Average: |
2.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
|