| ## |
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 |
429 |
98 |
11888 |
◊ |
A |
x,y,z |
1_555 |
479 |
121 |
23887 |
4279.7 |
-40.6 |
0.187 |
63 |
27 |
0 |
0.490 |
2 |
|
D |
426 |
97 |
11906 |
◊ |
C |
x,y,z |
1_555 |
472 |
121 |
23873 |
4255.8 |
-37.2 |
0.235 |
65 |
31 |
0 |
0.490 |
| Average: |
4267.8 |
-38.9 |
0.211 |
64 |
29 |
0 |
0.490 |
| 2 |
3 |
|
C |
170 |
52 |
23873 |
◊ |
A |
x,y,z |
1_555 |
172 |
52 |
23887 |
1598.4 |
-5.5 |
0.500 |
20 |
9 |
0 |
0.203 |
| 3 |
4 |
|
B |
88 |
23 |
11888 |
◊ |
C |
x,y,z |
1_555 |
93 |
24 |
23873 |
820.2 |
-9.3 |
0.151 |
9 |
5 |
0 |
0.169 |
5 |
|
D |
84 |
23 |
11906 |
◊ |
A |
x,y,z |
1_555 |
92 |
24 |
23887 |
804.2 |
-9.0 |
0.164 |
11 |
5 |
0 |
0.169 |
| Average: |
812.2 |
-9.2 |
0.157 |
10 |
5 |
0 |
0.169 |
| 4 |
6 |
|
[FAD]C:3000 |
52 |
1 |
1031 |
f |
C |
x,y,z |
1_555 |
109 |
42 |
23873 |
706.4 |
-8.0 |
0.398 |
16 |
0 |
0 |
0.394 |
7 |
|
[FAD]A:1000 |
53 |
1 |
1028 |
f |
A |
x,y,z |
1_555 |
109 |
42 |
23887 |
703.2 |
-8.3 |
0.406 |
16 |
0 |
0 |
0.394 |
| Average: |
704.8 |
-8.2 |
0.402 |
16 |
0 |
0 |
0.394 |
| 5 |
8 |
|
A |
46 |
14 |
23887 |
◊ |
C |
x-1/2,-y-1/2,-z+1 |
4_446 |
50 |
15 |
23873 |
413.3 |
1.6 |
0.744 |
3 |
2 |
0 |
0.000 |
| 6 |
9 |
|
[ADX]C:3200 |
27 |
1 |
535 |
f |
C |
x,y,z |
1_555 |
53 |
20 |
23873 |
403.6 |
-9.0 |
0.312 |
9 |
0 |
0 |
0.330 |
10 |
|
[ADX]C:1200 |
27 |
1 |
535 |
f |
A |
x,y,z |
1_555 |
52 |
21 |
23887 |
377.5 |
-9.0 |
0.397 |
8 |
0 |
0 |
0.330 |
| Average: |
390.5 |
-9.0 |
0.354 |
9 |
0 |
0 |
0.330 |
| 7 |
11 |
|
D |
44 |
14 |
11906 |
◊ |
A |
-x+3/2,-y,z-1/2 |
2_654 |
42 |
13 |
23887 |
396.2 |
-0.2 |
0.730 |
6 |
0 |
0 |
0.000 |
12 |
|
C |
44 |
13 |
23873 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
41 |
14 |
11888 |
384.5 |
-0.2 |
0.693 |
4 |
0 |
0 |
0.000 |
| Average: |
390.4 |
-0.2 |
0.711 |
5 |
0 |
0 |
0.000 |
| 8 |
13 |
|
C |
25 |
8 |
23873 |
x |
C |
x-1/2,-y-1/2,-z+1 |
4_446 |
31 |
11 |
23873 |
200.0 |
-1.6 |
0.432 |
0 |
0 |
0 |
0.000 |
| 9 |
14 |
|
[SF4]B:1110 |
8 |
1 |
302 |
f |
B |
x,y,z |
1_555 |
25 |
14 |
11888 |
182.0 |
-20.8 |
0.529 |
1 |
0 |
0 |
0.245 |
| 10 |
15 |
|
[SF4]D:3110 |
8 |
1 |
305 |
f |
D |
x,y,z |
1_555 |
24 |
14 |
11906 |
181.0 |
-21.1 |
0.522 |
0 |
0 |
0 |
0.243 |
| 11 |
16 |
|
B |
23 |
7 |
11888 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
21 |
4 |
11906 |
178.3 |
-0.5 |
0.715 |
0 |
0 |
0 |
0.000 |
| 12 |
17 |
|
[SF4]B:1100 |
8 |
1 |
306 |
f |
B |
x,y,z |
1_555 |
26 |
15 |
11888 |
177.7 |
-19.8 |
0.480 |
1 |
0 |
0 |
0.233 |
| 13 |
18 |
|
[SF4]D:3100 |
8 |
1 |
304 |
f |
D |
x,y,z |
1_555 |
28 |
15 |
11906 |
174.4 |
-19.6 |
0.514 |
1 |
0 |
0 |
0.231 |
| 14 |
19 |
|
C |
18 |
8 |
23873 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
22 |
6 |
11906 |
166.3 |
-0.2 |
0.648 |
1 |
0 |
0 |
0.000 |
| 15 |
20 |
|
C |
11 |
3 |
23873 |
◊ |
A |
-x+3/2,-y,z-1/2 |
2_654 |
12 |
4 |
23887 |
110.5 |
1.8 |
0.743 |
1 |
0 |
0 |
0.000 |
21 |
|
C |
13 |
3 |
23873 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
10 |
4 |
23887 |
105.8 |
1.0 |
0.670 |
1 |
0 |
0 |
0.000 |
| Average: |
108.2 |
1.4 |
0.707 |
1 |
0 |
0 |
0.000 |
| 16 |
22 |
|
[ADX]C:3200 |
4 |
1 |
535 |
f |
[FAD]C:3000 |
x,y,z |
1_555 |
11 |
1 |
1031 |
49.5 |
-2.9 |
0.335 |
0 |
0 |
0 |
0.074 |
23 |
|
[ADX]C:1200 |
4 |
1 |
535 |
f |
[FAD]A:1000 |
x,y,z |
1_555 |
9 |
1 |
1028 |
48.6 |
-2.8 |
0.344 |
0 |
0 |
0 |
0.074 |
| Average: |
49.1 |
-2.9 |
0.339 |
0 |
0 |
0 |
0.074 |
| 17 |
24 |
|
B |
3 |
2 |
11888 |
◊ |
A |
-x+1,y-1/2,-z+3/2 |
3_646 |
6 |
4 |
23887 |
47.1 |
-0.1 |
0.320 |
0 |
0 |
0 |
0.000 |
| 18 |
25 |
|
[FAD]A:1000 |
5 |
1 |
1028 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
11888 |
43.7 |
-1.4 |
0.274 |
0 |
0 |
0 |
0.010 |
26 |
|
[FAD]C:3000 |
5 |
1 |
1031 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
11906 |
42.4 |
-1.4 |
0.265 |
0 |
0 |
0 |
0.010 |
| Average: |
43.0 |
-1.4 |
0.270 |
0 |
0 |
0 |
0.010 |
| 19 |
27 |
|
C |
6 |
2 |
23873 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
1 |
23887 |
34.2 |
0.2 |
0.688 |
0 |
0 |
0 |
0.000 |
| 20 |
28 |
|
A |
3 |
1 |
23887 |
x |
A |
x-1,y,z |
1_455 |
7 |
3 |
23887 |
33.1 |
1.4 |
0.825 |
1 |
0 |
0 |
0.000 |
29 |
|
C |
8 |
3 |
23873 |
x |
C |
x-1,y,z |
1_455 |
3 |
1 |
23873 |
31.6 |
1.4 |
0.817 |
1 |
0 |
0 |
0.000 |
| Average: |
32.3 |
1.4 |
0.821 |
1 |
0 |
0 |
0.000 |
| 21 |
30 |
|
A |
4 |
2 |
23887 |
x |
A |
-x+1,y-1/2,-z+3/2 |
3_646 |
9 |
4 |
23887 |
28.2 |
0.4 |
0.728 |
0 |
0 |
0 |
0.000 |
| 22 |
31 |
|
[SF4]D:3100 |
2 |
1 |
304 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
23873 |
26.3 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.013 |
| 23 |
32 |
|
[SF4]B:1100 |
3 |
1 |
306 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
23887 |
25.7 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.012 |
| 24 |
33 |
|
A |
2 |
1 |
23887 |
◊ |
D |
x-1/2,-y-1/2,-z+1 |
4_446 |
2 |
1 |
11906 |
11.9 |
0.0 |
0.585 |
0 |
0 |
0 |
0.000 |
| 25 |
34 |
|
C |
1 |
1 |
23873 |
◊ |
B |
-x+3/2,-y,z-1/2 |
2_654 |
1 |
1 |
11888 |
0.8 |
0.0 |
0.631 |
0 |
0 |
0 |
0.000 |
|