| ## |
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 |
519 |
130 |
24703 |
◊ |
A |
x,y,z |
1_555 |
523 |
131 |
24921 |
4832.2 |
-65.6 |
0.001 |
38 |
14 |
0 |
0.376 |
| 2 |
2 |
|
B |
203 |
57 |
24703 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
196 |
56 |
24921 |
1832.4 |
-9.8 |
0.500 |
24 |
23 |
0 |
0.162 |
| 3 |
3 |
|
B |
155 |
46 |
24703 |
◊ |
B |
-y+1,-x+1,-z+1/2 |
8_665 |
153 |
46 |
24703 |
1343.8 |
-2.7 |
0.765 |
16 |
6 |
0 |
0.038 |
4 |
|
A |
160 |
49 |
24921 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
157 |
48 |
24921 |
1338.0 |
-1.1 |
0.815 |
16 |
4 |
0 |
0.038 |
| Average: |
1340.9 |
-1.9 |
0.790 |
16 |
5 |
0 |
0.038 |
| 4 |
5 |
|
[FAD]B:613 |
53 |
1 |
989 |
f |
B |
x,y,z |
1_555 |
115 |
43 |
24703 |
735.4 |
-10.6 |
0.480 |
16 |
0 |
0 |
0.238 |
6 |
|
[FAD]A:612 |
53 |
1 |
992 |
f |
A |
x,y,z |
1_555 |
118 |
43 |
24921 |
724.5 |
-10.3 |
0.476 |
16 |
0 |
0 |
0.238 |
| Average: |
730.0 |
-10.5 |
0.478 |
16 |
0 |
0 |
0.238 |
| 5 |
7 |
|
B |
79 |
29 |
24703 |
x |
B |
-y+1/2,x-1/2,z+1/4 |
3_545 |
69 |
19 |
24703 |
676.6 |
3.3 |
0.803 |
7 |
1 |
0 |
0.000 |
| 6 |
8 |
|
A |
39 |
12 |
24921 |
◊ |
B |
-y+1/2,x-1/2,z+1/4 |
3_545 |
42 |
15 |
24703 |
360.3 |
0.9 |
0.787 |
2 |
1 |
0 |
0.000 |
| 7 |
9 |
|
[TPP]B:615 |
26 |
1 |
595 |
f |
B |
x,y,z |
1_555 |
47 |
20 |
24703 |
292.1 |
-7.6 |
0.455 |
13 |
0 |
0 |
0.183 |
10 |
|
[TPP]A:614 |
26 |
1 |
595 |
f |
A |
x,y,z |
1_555 |
46 |
20 |
24921 |
277.6 |
-7.3 |
0.449 |
14 |
0 |
0 |
0.183 |
| Average: |
284.8 |
-7.5 |
0.452 |
14 |
0 |
0 |
0.183 |
| 8 |
11 |
|
A |
34 |
9 |
24921 |
◊ |
B |
x-1/2,-y+1/2,-z+3/4 |
6_455 |
27 |
11 |
24703 |
242.3 |
-0.7 |
0.614 |
2 |
2 |
0 |
0.000 |
| 9 |
12 |
|
A |
25 |
9 |
24921 |
◊ |
A |
y,x,-z |
7_555 |
25 |
9 |
24921 |
241.4 |
2.5 |
0.890 |
6 |
2 |
0 |
0.000 |
| 10 |
13 |
|
[MPD]A:621 |
7 |
1 |
269 |
f |
A |
x,y,z |
1_555 |
31 |
8 |
24921 |
162.3 |
-10.4 |
0.750 |
1 |
0 |
0 |
0.073 |
| 11 |
14 |
|
[MPD]A:620 |
7 |
1 |
278 |
f |
A |
x,y,z |
1_555 |
21 |
12 |
24921 |
150.3 |
-9.8 |
0.328 |
0 |
0 |
0 |
0.067 |
| 12 |
15 |
|
[TPP]B:615 |
13 |
1 |
595 |
◊ |
A |
x,y,z |
1_555 |
22 |
10 |
24921 |
135.5 |
1.1 |
0.700 |
0 |
0 |
0 |
0.000 |
16 |
|
[TPP]A:614 |
13 |
1 |
595 |
◊ |
B |
x,y,z |
1_555 |
22 |
10 |
24703 |
131.4 |
1.0 |
0.709 |
0 |
0 |
0 |
0.000 |
| Average: |
133.5 |
1.0 |
0.705 |
0 |
0 |
0 |
0.000 |
| 13 |
17 |
|
A |
12 |
4 |
24921 |
x |
A |
-y+1/2,x-1/2,z+1/4 |
3_545 |
11 |
4 |
24921 |
126.1 |
2.1 |
0.887 |
4 |
1 |
0 |
0.000 |
| 14 |
18 |
|
[PO4]B:625 |
5 |
1 |
190 |
f |
B |
x,y,z |
1_555 |
24 |
8 |
24703 |
112.2 |
-7.5 |
0.686 |
1 |
0 |
0 |
0.054 |
| 15 |
19 |
|
A |
13 |
5 |
24921 |
x |
A |
-x+1/2,y-1/2,-z+1/4 |
5_545 |
8 |
4 |
24921 |
75.5 |
-0.2 |
0.614 |
1 |
0 |
0 |
0.000 |
| 16 |
20 |
|
B |
3 |
1 |
24703 |
◊ |
A |
-y+3/2,x-1/2,z+1/4 |
3_645 |
7 |
3 |
24921 |
53.6 |
0.8 |
0.786 |
1 |
0 |
0 |
0.000 |
| 17 |
21 |
|
[CL]A:611 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
24921 |
41.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.051 |
22 |
|
[CL]B:610 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
24703 |
35.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.051 |
| Average: |
38.2 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.051 |
| 18 |
23 |
|
[MG]A:608 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
8 |
24921 |
37.6 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.084 |
24 |
|
[MG]B:609 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
8 |
24703 |
37.5 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.084 |
| Average: |
37.5 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.084 |
| 19 |
25 |
|
[MPD]A:620 |
4 |
1 |
278 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
24703 |
35.4 |
-1.3 |
0.937 |
1 |
0 |
0 |
0.008 |
| 20 |
26 |
|
[CL]A:611 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
24703 |
35.4 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.032 |
27 |
|
[CL]B:610 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
4 |
24921 |
29.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.032 |
| Average: |
32.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.032 |
| 21 |
28 |
|
[TPP]B:615 |
4 |
1 |
595 |
◊ |
[CL]A:611 |
x,y,z |
1_555 |
1 |
1 |
125 |
32.7 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.024 |
29 |
|
[TPP]A:614 |
3 |
1 |
595 |
◊ |
[CL]B:610 |
x,y,z |
1_555 |
1 |
1 |
125 |
28.6 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.024 |
| Average: |
30.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.024 |
| 22 |
30 |
|
[MPD]A:620 |
4 |
1 |
278 |
f |
[TPP]A:614 |
x,y,z |
1_555 |
3 |
1 |
595 |
31.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.013 |
| 23 |
31 |
|
[TPP]B:615 |
3 |
1 |
595 |
f |
[MG]B:609 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.066 |
32 |
|
[TPP]A:614 |
3 |
1 |
595 |
f |
[MG]A:608 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.066 |
| Average: |
30.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.066 |
| 24 |
33 |
|
[MPD]A:620 |
2 |
1 |
278 |
f |
[FAD]A:612 |
x,y,z |
1_555 |
1 |
1 |
992 |
24.8 |
-1.4 |
0.451 |
0 |
0 |
0 |
0.010 |
| 25 |
34 |
|
[MPD]A:620 |
3 |
1 |
278 |
◊ |
[CL]B:610 |
x,y,z |
1_555 |
1 |
1 |
125 |
22.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.014 |
| 26 |
35 |
|
[FAD]A:612 |
2 |
1 |
992 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
24703 |
7.4 |
-0.5 |
0.405 |
0 |
0 |
0 |
0.004 |
36 |
|
[FAD]B:613 |
1 |
1 |
989 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
24921 |
6.2 |
-0.5 |
0.245 |
0 |
0 |
0 |
0.004 |
| Average: |
6.8 |
-0.5 |
0.325 |
0 |
0 |
0 |
0.004 |
| 27 |
37 |
|
B |
1 |
1 |
24703 |
x |
B |
x-1/2,-y+1/2,-z+3/4 |
6_455 |
2 |
1 |
24703 |
3.7 |
-0.1 |
0.459 |
0 |
0 |
0 |
0.000 |
|