| ## |
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 |
91 |
29 |
12580 |
◊ |
B |
-x,y,-z+1 |
2_556 |
90 |
28 |
12580 |
1017.0 |
-10.5 |
0.148 |
12 |
4 |
0 |
0.138 |
2 |
|
C |
75 |
22 |
12622 |
◊ |
A |
x,y,z |
1_555 |
81 |
24 |
12075 |
863.7 |
-9.2 |
0.184 |
14 |
5 |
0 |
0.138 |
| Average: |
940.4 |
-9.9 |
0.166 |
13 |
5 |
0 |
0.138 |
| 2 |
3 |
|
C |
78 |
21 |
12622 |
◊ |
C |
-x,y,-z+2 |
2_557 |
77 |
21 |
12622 |
778.7 |
7.6 |
0.978 |
20 |
18 |
0 |
0.000 |
| 3 |
4 |
|
[FAD]A:395 |
52 |
1 |
984 |
f |
A |
x,y,z |
1_555 |
103 |
33 |
12075 |
682.3 |
-8.4 |
0.564 |
18 |
0 |
0 |
0.286 |
5 |
|
[FAD]C:397 |
52 |
1 |
977 |
f |
C |
x,y,z |
1_555 |
99 |
33 |
12622 |
664.3 |
-9.8 |
0.505 |
14 |
0 |
0 |
0.286 |
6 |
|
[FAD]B:396 |
52 |
1 |
989 |
f |
B |
x,y,z |
1_555 |
97 |
34 |
12580 |
650.1 |
-10.6 |
0.496 |
20 |
0 |
0 |
0.286 |
| Average: |
665.6 |
-9.6 |
0.522 |
17 |
0 |
0 |
0.286 |
| 4 |
7 |
|
C |
58 |
16 |
12622 |
◊ |
B |
x,y,z |
1_555 |
62 |
19 |
12580 |
547.0 |
-2.0 |
0.591 |
9 |
4 |
0 |
0.000 |
8 |
|
B |
46 |
14 |
12580 |
◊ |
A |
-x,y,-z+1 |
2_556 |
56 |
15 |
12075 |
457.0 |
-2.2 |
0.588 |
2 |
0 |
0 |
0.000 |
| Average: |
502.0 |
-2.1 |
0.590 |
6 |
2 |
0 |
0.000 |
| 5 |
9 |
|
C |
26 |
6 |
12622 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
21 |
8 |
12580 |
233.0 |
1.3 |
0.734 |
4 |
3 |
0 |
0.000 |
10 |
|
A |
10 |
4 |
12075 |
◊ |
B |
-x-1/2,y-1/2,-z+1 |
4_446 |
8 |
3 |
12580 |
76.0 |
0.5 |
0.734 |
1 |
0 |
0 |
0.000 |
| Average: |
154.5 |
0.9 |
0.734 |
3 |
2 |
0 |
0.000 |
| 6 |
11 |
|
[MPD]C:897 |
7 |
1 |
279 |
f |
C |
x,y,z |
1_555 |
24 |
10 |
12622 |
163.1 |
-11.7 |
0.538 |
0 |
0 |
0 |
0.099 |
| 7 |
12 |
|
[MPD]A:895 |
7 |
1 |
277 |
f |
A |
x,y,z |
1_555 |
27 |
11 |
12075 |
160.2 |
-11.3 |
0.589 |
0 |
0 |
0 |
0.168 |
13 |
|
[MPD]B:896 |
7 |
1 |
278 |
f |
B |
x,y,z |
1_555 |
23 |
10 |
12580 |
157.2 |
-11.4 |
0.513 |
0 |
0 |
0 |
0.168 |
| Average: |
158.7 |
-11.3 |
0.551 |
0 |
0 |
0 |
0.168 |
| 8 |
14 |
|
C |
18 |
5 |
12622 |
◊ |
B |
-x+1/2,y-1/2,-z+2 |
4_547 |
18 |
5 |
12580 |
142.9 |
-0.1 |
0.534 |
1 |
0 |
0 |
0.000 |
| 9 |
15 |
|
[SO4]C:904 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
16 |
8 |
12622 |
102.3 |
-14.8 |
0.789 |
5 |
0 |
0 |
0.145 |
| 10 |
16 |
|
[SO4]B:902 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
12580 |
93.3 |
-13.8 |
0.704 |
4 |
0 |
0 |
0.229 |
| 11 |
17 |
|
[SO4]B:903 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
12580 |
88.6 |
-12.4 |
0.846 |
2 |
0 |
0 |
0.195 |
| 12 |
18 |
|
[SO4]A:900 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
12075 |
84.1 |
-12.4 |
0.758 |
5 |
0 |
0 |
0.125 |
| 13 |
19 |
|
[SO4]A:901 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
12075 |
82.7 |
-12.4 |
0.630 |
4 |
0 |
0 |
0.121 |
| 14 |
20 |
|
A |
7 |
3 |
12075 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
7 |
3 |
12580 |
58.9 |
1.1 |
0.811 |
1 |
2 |
0 |
0.000 |
| 15 |
21 |
|
A |
7 |
1 |
12075 |
◊ |
A |
-x-1,y,-z |
2_455 |
7 |
1 |
12075 |
57.7 |
1.0 |
0.850 |
0 |
0 |
0 |
0.000 |
| 16 |
22 |
|
C |
7 |
4 |
12622 |
◊ |
A |
-x,y,-z+1 |
2_556 |
5 |
2 |
12075 |
49.5 |
0.8 |
0.808 |
0 |
0 |
0 |
0.000 |
| 17 |
23 |
|
A |
4 |
2 |
12075 |
◊ |
C |
x-1,y,z-1 |
1_454 |
3 |
2 |
12622 |
22.1 |
0.1 |
0.677 |
0 |
0 |
0 |
0.000 |
| 18 |
24 |
|
B |
1 |
1 |
12580 |
◊ |
B |
-x+1,y,-z+2 |
2_657 |
1 |
1 |
12580 |
2.1 |
-0.1 |
0.431 |
0 |
0 |
0 |
0.000 |
|