## |
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 |
239 |
68 |
17037 |
◊ |
C |
x,y,z |
1_555 |
181 |
45 |
8931 |
2027.2 |
-28.8 |
0.007 |
23 |
4 |
0 |
0.267 |
2 |
|
B |
237 |
68 |
16999 |
◊ |
A |
x,y,z |
1_555 |
186 |
46 |
8962 |
2022.9 |
-28.7 |
0.009 |
23 |
5 |
0 |
0.267 |
Average: |
2025.0 |
-28.7 |
0.008 |
23 |
5 |
0 |
0.267 |
2 |
3 |
|
B |
70 |
21 |
16999 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
70 |
22 |
17037 |
716.3 |
-12.4 |
0.015 |
2 |
2 |
0 |
0.081 |
3 |
4 |
|
[NAI]D:503 |
40 |
1 |
865 |
f |
D |
x,y,z |
1_555 |
81 |
27 |
17037 |
533.7 |
-8.1 |
0.206 |
4 |
0 |
0 |
0.115 |
5 |
|
[NAI]B:503 |
40 |
1 |
860 |
f |
B |
x,y,z |
1_555 |
82 |
27 |
16999 |
531.9 |
-7.7 |
0.272 |
4 |
0 |
0 |
0.115 |
Average: |
532.8 |
-7.9 |
0.239 |
4 |
0 |
0 |
0.115 |
4 |
6 |
|
D |
42 |
9 |
17037 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
42 |
12 |
16999 |
352.5 |
-2.7 |
0.344 |
2 |
3 |
0 |
0.000 |
5 |
7 |
|
D |
44 |
11 |
17037 |
◊ |
A |
x-1,y,z |
1_455 |
40 |
11 |
8962 |
349.2 |
1.5 |
0.780 |
4 |
3 |
0 |
0.000 |
8 |
|
B |
40 |
10 |
16999 |
◊ |
C |
x,y,z |
1_555 |
34 |
11 |
8931 |
328.8 |
3.1 |
0.869 |
7 |
5 |
0 |
0.000 |
Average: |
339.0 |
2.3 |
0.824 |
6 |
4 |
0 |
0.000 |
6 |
9 |
|
[FMN]B:502 |
31 |
1 |
611 |
f |
B |
x,y,z |
1_555 |
63 |
22 |
16999 |
347.6 |
-6.4 |
0.482 |
9 |
0 |
0 |
0.123 |
10 |
|
[FMN]D:502 |
31 |
1 |
613 |
f |
D |
x,y,z |
1_555 |
63 |
22 |
17037 |
347.5 |
-6.3 |
0.482 |
9 |
0 |
0 |
0.123 |
Average: |
347.5 |
-6.4 |
0.482 |
9 |
0 |
0 |
0.123 |
7 |
11 |
|
D |
38 |
11 |
17037 |
◊ |
B |
x-1,y,z |
1_455 |
40 |
12 |
16999 |
313.2 |
-1.7 |
0.426 |
1 |
0 |
0 |
0.000 |
12 |
|
D |
34 |
8 |
17037 |
◊ |
B |
x,y,z |
1_555 |
33 |
10 |
16999 |
280.2 |
-0.8 |
0.530 |
1 |
0 |
0 |
0.000 |
Average: |
296.7 |
-1.3 |
0.478 |
1 |
0 |
0 |
0.000 |
8 |
13 |
|
A |
25 |
10 |
8962 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
25 |
9 |
16999 |
207.1 |
-0.9 |
0.542 |
3 |
0 |
0 |
0.000 |
9 |
14 |
|
[SF4]D:501 |
8 |
1 |
307 |
f |
D |
x,y,z |
1_555 |
24 |
13 |
17037 |
177.4 |
-20.7 |
0.341 |
2 |
0 |
0 |
0.257 |
15 |
|
[SF4]B:501 |
8 |
1 |
308 |
f |
B |
x,y,z |
1_555 |
22 |
13 |
16999 |
176.3 |
-20.8 |
0.347 |
2 |
0 |
0 |
0.257 |
Average: |
176.9 |
-20.8 |
0.344 |
2 |
0 |
0 |
0.257 |
10 |
16 |
|
[NAI]D:503 |
21 |
1 |
865 |
f |
[FMN]D:502 |
x,y,z |
1_555 |
23 |
1 |
613 |
169.1 |
-0.4 |
0.804 |
2 |
0 |
0 |
0.015 |
17 |
|
[NAI]B:503 |
21 |
1 |
860 |
f |
[FMN]B:502 |
x,y,z |
1_555 |
23 |
1 |
611 |
167.4 |
-0.3 |
0.802 |
2 |
0 |
0 |
0.015 |
Average: |
168.2 |
-0.4 |
0.803 |
2 |
0 |
0 |
0.015 |
11 |
18 |
|
[GOL]D:504 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
28 |
13 |
17037 |
143.4 |
-1.0 |
0.449 |
2 |
0 |
0 |
0.023 |
19 |
|
[GOL]B:504 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
25 |
12 |
16999 |
140.4 |
-1.1 |
0.438 |
2 |
0 |
0 |
0.023 |
Average: |
141.9 |
-1.1 |
0.443 |
2 |
0 |
0 |
0.023 |
12 |
20 |
|
[FES]C:201 |
4 |
1 |
235 |
f |
C |
x,y,z |
1_555 |
18 |
10 |
8931 |
112.2 |
-14.6 |
0.587 |
3 |
0 |
0 |
0.093 |
13 |
21 |
|
[FES]A:201 |
4 |
1 |
234 |
f |
A |
x,y,z |
1_555 |
16 |
10 |
8962 |
112.0 |
-14.5 |
0.585 |
2 |
0 |
0 |
0.104 |
14 |
22 |
|
[SO4]A:203 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
8962 |
102.2 |
-14.4 |
0.852 |
5 |
0 |
0 |
0.112 |
15 |
23 |
|
[SO4]C:202 |
5 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
8931 |
95.6 |
-13.5 |
0.831 |
3 |
0 |
0 |
0.087 |
16 |
24 |
|
[GOL]B:505 |
5 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
16999 |
78.2 |
-0.5 |
0.462 |
1 |
0 |
0 |
0.007 |
17 |
25 |
|
[SO4]D:505 |
5 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
17037 |
78.0 |
-10.5 |
0.699 |
2 |
0 |
0 |
0.068 |
18 |
26 |
|
[GOL]B:505 |
6 |
1 |
217 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
17037 |
77.5 |
0.8 |
0.613 |
1 |
0 |
0 |
0.000 |
19 |
27 |
|
[NA]D:508 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
17037 |
72.7 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.137 |
28 |
|
[NA]B:508 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
16999 |
70.9 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.137 |
Average: |
71.8 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.137 |
20 |
29 |
|
[SO4]D:505 |
4 |
1 |
183 |
◊ |
B |
x-1,y,z |
1_455 |
8 |
2 |
16999 |
72.5 |
-9.4 |
0.844 |
3 |
0 |
0 |
0.000 |
21 |
30 |
|
B |
12 |
4 |
16999 |
x |
B |
x-1,y,z |
1_455 |
8 |
4 |
16999 |
67.5 |
0.0 |
0.566 |
0 |
0 |
0 |
0.000 |
31 |
|
D |
12 |
4 |
17037 |
x |
D |
x-1,y,z |
1_455 |
6 |
2 |
17037 |
66.0 |
0.2 |
0.583 |
0 |
0 |
0 |
0.000 |
Average: |
66.8 |
0.1 |
0.574 |
0 |
0 |
0 |
0.000 |
22 |
32 |
|
[NA]D:507 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
17037 |
65.3 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.058 |
23 |
33 |
|
[SO4]A:202 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
8962 |
63.4 |
-7.7 |
0.934 |
3 |
0 |
0 |
0.061 |
24 |
34 |
|
[NA]D:506 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
17037 |
63.2 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.054 |
25 |
35 |
|
[SO4]C:203 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
8931 |
62.2 |
-7.6 |
0.926 |
4 |
0 |
0 |
0.055 |
26 |
36 |
|
[GOL]B:506 |
5 |
1 |
223 |
◊ |
B |
x,y,z |
1_555 |
9 |
6 |
16999 |
61.3 |
1.4 |
0.831 |
2 |
0 |
0 |
0.000 |
27 |
37 |
|
D |
8 |
3 |
17037 |
◊ |
[NAI]B:503 |
-x,y-1/2,-z-1/2 |
3_544 |
6 |
1 |
860 |
56.8 |
0.9 |
0.680 |
0 |
0 |
0 |
0.000 |
28 |
38 |
|
[NA]B:507 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
16999 |
53.7 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.047 |
29 |
39 |
|
[GOL]B:506 |
4 |
1 |
223 |
f |
B |
x-1,y,z |
1_455 |
5 |
3 |
16999 |
35.1 |
-0.1 |
0.526 |
0 |
0 |
0 |
0.000 |
30 |
40 |
|
B |
3 |
1 |
16999 |
◊ |
[NA]D:506 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
125 |
29.5 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.014 |
31 |
41 |
|
[FES]A:201 |
2 |
1 |
234 |
◊ |
B |
x,y,z |
1_555 |
8 |
5 |
16999 |
27.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.019 |
32 |
42 |
|
[FES]C:201 |
2 |
1 |
235 |
◊ |
D |
x,y,z |
1_555 |
8 |
5 |
17037 |
26.7 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.016 |
33 |
43 |
|
[SO4]A:202 |
1 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
16999 |
6.7 |
-0.9 |
0.589 |
0 |
0 |
0 |
0.006 |
34 |
44 |
|
D |
3 |
2 |
17037 |
◊ |
[NA]B:507 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
6.6 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
45 |
|
[SO4]C:203 |
1 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
17037 |
6.0 |
-0.8 |
0.600 |
0 |
0 |
0 |
0.005 |
36 |
46 |
|
B |
1 |
1 |
16999 |
◊ |
[SF4]D:501 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
307 |
5.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.006 |
47 |
|
[SF4]B:501 |
1 |
1 |
308 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
17037 |
3.7 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.006 |
Average: |
4.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.006 |
37 |
48 |
|
[FMN]B:502 |
1 |
1 |
611 |
f |
[SF4]B:501 |
x,y,z |
1_555 |
1 |
1 |
308 |
2.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
49 |
|
[FMN]D:502 |
1 |
1 |
613 |
f |
[SF4]D:501 |
x,y,z |
1_555 |
1 |
1 |
307 |
2.5 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
Average: |
2.7 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
|