| ## |
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 |
322 |
87 |
20571 |
◊ |
A |
x,y,z |
1_555 |
324 |
88 |
20647 |
3167.9 |
-51.9 |
0.000 |
25 |
0 |
0 |
0.293 |
| 2 |
2 |
|
[FAD]B:500 |
51 |
1 |
996 |
f |
B |
x,y,z |
1_555 |
112 |
45 |
20571 |
679.1 |
-7.7 |
0.512 |
17 |
0 |
0 |
0.139 |
3 |
|
[FAD]A:500 |
52 |
1 |
998 |
f |
A |
x,y,z |
1_555 |
110 |
44 |
20647 |
673.1 |
-6.7 |
0.565 |
18 |
0 |
0 |
0.139 |
| Average: |
676.1 |
-7.2 |
0.538 |
18 |
0 |
0 |
0.139 |
| 3 |
4 |
|
[NAD]A:600 |
43 |
1 |
875 |
f |
A |
x,y,z |
1_555 |
76 |
28 |
20647 |
556.7 |
-6.6 |
0.423 |
9 |
0 |
0 |
0.097 |
5 |
|
[NAD]B:600 |
43 |
1 |
867 |
f |
B |
x,y,z |
1_555 |
76 |
29 |
20571 |
555.8 |
-6.4 |
0.424 |
9 |
0 |
0 |
0.097 |
| Average: |
556.3 |
-6.5 |
0.423 |
9 |
0 |
0 |
0.097 |
| 4 |
6 |
|
A |
73 |
22 |
20647 |
◊ |
B |
-y+1,x,z+1/4 |
3_655 |
64 |
16 |
20571 |
546.6 |
-2.6 |
0.592 |
7 |
6 |
0 |
0.000 |
7 |
|
A |
60 |
14 |
20647 |
◊ |
B |
-y,x,z+1/4 |
3_555 |
70 |
21 |
20571 |
542.3 |
-1.9 |
0.629 |
8 |
7 |
0 |
0.000 |
| Average: |
544.4 |
-2.2 |
0.610 |
8 |
7 |
0 |
0.000 |
| 5 |
8 |
|
[NAD]B:600 |
12 |
1 |
867 |
f |
[FAD]B:500 |
x,y,z |
1_555 |
18 |
1 |
996 |
94.8 |
0.4 |
0.667 |
0 |
0 |
0 |
0.000 |
9 |
|
[NAD]A:600 |
12 |
1 |
875 |
f |
[FAD]A:500 |
x,y,z |
1_555 |
17 |
1 |
998 |
92.9 |
0.6 |
0.684 |
0 |
0 |
0 |
0.000 |
| Average: |
93.9 |
0.5 |
0.676 |
0 |
0 |
0 |
0.000 |
| 6 |
10 |
|
[CL]A:469 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
20647 |
85.2 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.109 |
11 |
|
[CL]B:469 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
20571 |
79.7 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.109 |
| Average: |
82.4 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.109 |
| 7 |
12 |
|
[CL]A:467 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
20647 |
83.5 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.094 |
13 |
|
[CL]B:467 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
20571 |
80.8 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.094 |
| Average: |
82.2 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.094 |
| 8 |
14 |
|
A |
7 |
2 |
20647 |
x |
A |
-y+1,x,z+1/4 |
3_655 |
7 |
2 |
20647 |
79.0 |
-1.5 |
0.224 |
0 |
3 |
0 |
0.000 |
15 |
|
B |
7 |
2 |
20571 |
x |
B |
-y,x,z+1/4 |
3_555 |
8 |
3 |
20571 |
73.3 |
-0.7 |
0.410 |
0 |
3 |
0 |
0.000 |
| Average: |
76.1 |
-1.1 |
0.317 |
0 |
3 |
0 |
0.000 |
| 9 |
16 |
|
[NI]B:468 |
1 |
1 |
115 |
cf |
B |
x,y,z |
1_555 |
7 |
3 |
20571 |
58.3 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.105 |
17 |
|
[NI]A:468 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
20647 |
58.3 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.105 |
| Average: |
58.3 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.105 |
| 10 |
18 |
|
[CL]A:465 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
20647 |
56.5 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.056 |
19 |
|
[CL]B:465 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
20571 |
53.4 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.056 |
| Average: |
55.0 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.056 |
| 11 |
20 |
|
[FAD]A:500 |
5 |
1 |
998 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
20571 |
53.1 |
-0.1 |
0.539 |
1 |
0 |
0 |
0.004 |
21 |
|
[FAD]B:500 |
5 |
1 |
996 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
20647 |
52.7 |
0.1 |
0.539 |
1 |
0 |
0 |
0.004 |
| Average: |
52.9 |
0.0 |
0.539 |
1 |
0 |
0 |
0.004 |
| 12 |
22 |
|
[NI]A:466 |
1 |
1 |
115 |
f |
A |
-y+1,x,z+1/4 |
3_655 |
6 |
2 |
20647 |
47.1 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.054 |
23 |
|
B |
6 |
2 |
20571 |
f |
[NI]B:466 |
-y,x,z+1/4 |
3_555 |
1 |
1 |
115 |
45.8 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.054 |
| Average: |
46.5 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.054 |
| 13 |
24 |
|
[NI]B:466 |
1 |
1 |
115 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
20571 |
46.6 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
|
[NI]A:466 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
20647 |
45.8 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
46.2 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 14 |
26 |
|
[CL]A:464 |
1 |
1 |
125 |
f |
B |
-y,x,z+1/4 |
3_555 |
8 |
2 |
20571 |
43.8 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.048 |
27 |
|
A |
8 |
2 |
20647 |
f |
[CL]B:464 |
-y+1,x,z+1/4 |
3_655 |
1 |
1 |
125 |
43.3 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.048 |
| Average: |
43.6 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.048 |
| 15 |
28 |
|
[CL]B:464 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
20571 |
36.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
|
[CL]A:464 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
20647 |
35.3 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
35.9 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 16 |
30 |
|
[NAD]B:600 |
3 |
1 |
867 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
20647 |
14.3 |
0.2 |
0.676 |
0 |
0 |
0 |
0.000 |
31 |
|
[NAD]A:600 |
3 |
1 |
875 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
20571 |
12.3 |
0.2 |
0.678 |
0 |
0 |
0 |
0.000 |
| Average: |
13.3 |
0.2 |
0.677 |
0 |
0 |
0 |
0.000 |
| 17 |
32 |
|
[CL]A:467 |
1 |
1 |
125 |
f |
[FAD]A:500 |
x,y,z |
1_555 |
3 |
1 |
998 |
11.2 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.008 |
33 |
|
[CL]B:467 |
1 |
1 |
125 |
f |
[FAD]B:500 |
x,y,z |
1_555 |
1 |
1 |
996 |
5.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.008 |
| Average: |
8.2 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.008 |
| 18 |
34 |
|
[NI]A:468 |
1 |
1 |
115 |
◊ |
B |
-y,x,z+1/4 |
3_555 |
1 |
1 |
20571 |
3.0 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
|
A |
1 |
1 |
20647 |
◊ |
[NI]B:468 |
-y+1,x,z+1/4 |
3_655 |
1 |
1 |
115 |
2.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
2.7 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
|