| ## |
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 |
339 |
91 |
23084 |
◊ |
C |
x,y,z |
1_555 |
337 |
93 |
23316 |
3308.4 |
-26.7 |
0.045 |
54 |
10 |
0 |
0.310 |
2 |
|
B |
348 |
92 |
22961 |
◊ |
A |
x,y,z |
1_555 |
334 |
92 |
23995 |
3286.2 |
-26.3 |
0.057 |
51 |
10 |
0 |
0.310 |
| Average: |
3297.3 |
-26.5 |
0.051 |
53 |
10 |
0 |
0.310 |
| 2 |
3 |
|
[FAD]B:999 |
52 |
1 |
971 |
f |
B |
x,y,z |
1_555 |
99 |
38 |
22961 |
703.9 |
-10.0 |
0.365 |
22 |
0 |
0 |
0.234 |
4 |
|
[FAD]A:999 |
52 |
1 |
971 |
f |
A |
x,y,z |
1_555 |
102 |
40 |
23995 |
701.0 |
-9.6 |
0.431 |
23 |
0 |
0 |
0.234 |
5 |
|
[FAD]C:999 |
52 |
1 |
969 |
f |
C |
x,y,z |
1_555 |
103 |
42 |
23316 |
698.4 |
-9.7 |
0.392 |
22 |
0 |
0 |
0.234 |
6 |
|
[FAD]D:999 |
52 |
1 |
973 |
f |
D |
x,y,z |
1_555 |
101 |
39 |
23084 |
697.5 |
-10.1 |
0.372 |
22 |
0 |
0 |
0.234 |
| Average: |
700.2 |
-9.9 |
0.390 |
22 |
0 |
0 |
0.234 |
| 3 |
7 |
|
D |
72 |
24 |
23084 |
◊ |
A |
x,y,z |
1_555 |
64 |
18 |
23995 |
601.1 |
-3.5 |
0.345 |
2 |
1 |
0 |
0.000 |
| 4 |
8 |
|
A |
67 |
18 |
23995 |
◊ |
D |
x,y-1,z |
1_545 |
61 |
19 |
23084 |
566.5 |
0.4 |
0.659 |
11 |
5 |
0 |
0.000 |
| 5 |
9 |
|
C |
43 |
14 |
23316 |
◊ |
B |
x,y,z-1 |
1_554 |
51 |
15 |
22961 |
436.8 |
-1.4 |
0.439 |
8 |
1 |
0 |
0.000 |
| 6 |
10 |
|
B |
47 |
12 |
22961 |
◊ |
C |
x,y-1,z+1 |
1_546 |
52 |
15 |
23316 |
421.8 |
3.5 |
0.872 |
6 |
2 |
0 |
0.000 |
| 7 |
11 |
|
C |
53 |
17 |
23316 |
◊ |
A |
x,y,z |
1_555 |
49 |
14 |
23995 |
409.9 |
-0.4 |
0.607 |
3 |
1 |
0 |
0.000 |
| 8 |
12 |
|
B |
27 |
8 |
22961 |
◊ |
D |
x,y-1,z+1 |
1_546 |
34 |
11 |
23084 |
248.5 |
-0.4 |
0.573 |
2 |
0 |
0 |
0.000 |
| 9 |
13 |
|
C |
24 |
7 |
23316 |
x |
C |
x-1,y,z |
1_455 |
37 |
11 |
23316 |
245.1 |
1.7 |
0.790 |
4 |
2 |
0 |
0.000 |
14 |
|
B |
16 |
6 |
22961 |
x |
B |
x-1,y,z |
1_455 |
32 |
10 |
22961 |
175.2 |
3.1 |
0.894 |
1 |
1 |
0 |
0.000 |
| Average: |
210.1 |
2.4 |
0.842 |
3 |
2 |
0 |
0.000 |
| 10 |
15 |
|
A |
25 |
10 |
23995 |
x |
A |
x-1,y,z |
1_455 |
25 |
9 |
23995 |
243.3 |
-0.4 |
0.576 |
2 |
3 |
0 |
0.000 |
16 |
|
D |
19 |
7 |
23084 |
x |
D |
x-1,y,z |
1_455 |
18 |
6 |
23084 |
174.9 |
-0.1 |
0.581 |
1 |
2 |
0 |
0.000 |
| Average: |
209.1 |
-0.3 |
0.579 |
2 |
3 |
0 |
0.000 |
| 11 |
17 |
|
C |
21 |
9 |
23316 |
◊ |
B |
x-1,y,z-1 |
1_454 |
21 |
7 |
22961 |
183.8 |
2.8 |
0.890 |
3 |
1 |
0 |
0.000 |
| 12 |
18 |
|
[SO4]D:1660 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
21 |
10 |
23084 |
112.8 |
-18.2 |
0.684 |
3 |
0 |
0 |
0.116 |
| 13 |
19 |
|
[SO4]C:1660 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
20 |
10 |
23316 |
111.8 |
-18.0 |
0.706 |
3 |
0 |
0 |
0.115 |
| 14 |
20 |
|
[SO4]A:1661 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
23995 |
109.6 |
-17.5 |
0.780 |
3 |
0 |
0 |
0.103 |
| 15 |
21 |
|
[SO4]B:1660 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
22961 |
109.0 |
-17.4 |
0.702 |
4 |
0 |
0 |
0.105 |
| 16 |
22 |
|
[SO4]A:1660 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
23995 |
82.3 |
-10.4 |
0.836 |
3 |
0 |
0 |
0.064 |
| 17 |
23 |
|
[SO4]B:1661 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
22961 |
81.7 |
-11.0 |
0.815 |
2 |
0 |
0 |
0.065 |
| 18 |
24 |
|
[SO4]D:1661 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
19 |
6 |
23084 |
81.7 |
-10.1 |
0.834 |
2 |
0 |
0 |
0.065 |
| 19 |
25 |
|
[CL]A:1659 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
23995 |
65.4 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.083 |
26 |
|
[CL]B:1659 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
22961 |
64.9 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.083 |
27 |
|
[CL]D:1659 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
13 |
7 |
23084 |
64.8 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.083 |
28 |
|
[CL]C:1659 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
23316 |
63.9 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.083 |
| Average: |
64.8 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.083 |
| 20 |
29 |
|
[CL]D:1659 |
1 |
1 |
125 |
f |
[FAD]D:999 |
x,y,z |
1_555 |
9 |
1 |
973 |
42.5 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.058 |
30 |
|
[CL]C:1659 |
1 |
1 |
125 |
f |
[FAD]C:999 |
x,y,z |
1_555 |
11 |
1 |
969 |
42.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.058 |
31 |
|
[CL]B:1659 |
1 |
1 |
125 |
f |
[FAD]B:999 |
x,y,z |
1_555 |
8 |
1 |
971 |
41.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.058 |
32 |
|
[CL]A:1659 |
1 |
1 |
125 |
f |
[FAD]A:999 |
x,y,z |
1_555 |
9 |
1 |
971 |
41.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.058 |
| Average: |
42.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.058 |
| 21 |
33 |
|
C |
5 |
3 |
23316 |
◊ |
A |
x,y,z-1 |
1_554 |
9 |
5 |
23995 |
37.7 |
1.1 |
0.836 |
0 |
0 |
0 |
0.000 |
| 22 |
34 |
|
D |
6 |
2 |
23084 |
◊ |
C |
x-1,y,z |
1_455 |
5 |
2 |
23316 |
37.6 |
0.9 |
0.819 |
0 |
0 |
0 |
0.000 |
35 |
|
A |
1 |
1 |
23995 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
22961 |
2.1 |
0.0 |
0.586 |
0 |
0 |
0 |
0.000 |
| Average: |
19.9 |
0.5 |
0.703 |
0 |
0 |
0 |
0.000 |
| 23 |
36 |
|
[SO4]A:1660 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
22961 |
35.7 |
-3.2 |
0.966 |
2 |
0 |
0 |
0.022 |
| 24 |
37 |
|
[SO4]D:1661 |
3 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
23316 |
28.3 |
-2.2 |
0.974 |
2 |
0 |
0 |
0.019 |
| 25 |
38 |
|
[SO4]B:1661 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
23995 |
24.2 |
-2.2 |
0.927 |
1 |
0 |
0 |
0.015 |
| 26 |
39 |
|
B |
5 |
3 |
22961 |
◊ |
D |
x,y-1,z |
1_545 |
5 |
4 |
23084 |
19.7 |
0.4 |
0.743 |
0 |
0 |
0 |
0.000 |
|