## |
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 |
85 |
24 |
17184 |
◊ |
A |
x,y,z |
1_555 |
84 |
24 |
17279 |
877.6 |
-3.9 |
0.447 |
8 |
0 |
0 |
0.071 |
2 |
|
C |
83 |
24 |
17211 |
◊ |
B |
x-1,y-1,z |
1_445 |
81 |
25 |
17246 |
862.5 |
-4.0 |
0.440 |
8 |
0 |
0 |
0.071 |
Average: |
870.1 |
-3.9 |
0.443 |
8 |
0 |
0 |
0.071 |
2 |
3 |
|
[FAD]D:1384 |
53 |
1 |
1002 |
f |
D |
x,y,z |
1_555 |
89 |
36 |
17184 |
700.4 |
-4.8 |
0.616 |
12 |
0 |
0 |
0.187 |
4 |
|
[FAD]C:1384 |
53 |
1 |
998 |
f |
C |
x,y,z |
1_555 |
93 |
37 |
17211 |
698.1 |
-4.8 |
0.614 |
12 |
0 |
0 |
0.187 |
5 |
|
[FAD]A:1384 |
52 |
1 |
987 |
f |
A |
x,y,z |
1_555 |
96 |
42 |
17279 |
688.4 |
-4.1 |
0.599 |
12 |
0 |
0 |
0.187 |
6 |
|
[FAD]B:1384 |
53 |
1 |
994 |
f |
B |
x,y,z |
1_555 |
95 |
41 |
17246 |
687.3 |
-3.9 |
0.617 |
12 |
0 |
0 |
0.187 |
Average: |
693.5 |
-4.4 |
0.612 |
12 |
0 |
0 |
0.187 |
3 |
7 |
|
B |
52 |
14 |
17246 |
◊ |
A |
x,y,z |
1_555 |
43 |
15 |
17279 |
435.5 |
-5.7 |
0.159 |
2 |
0 |
0 |
0.000 |
4 |
8 |
|
[I7T]D:1385 |
30 |
1 |
597 |
f |
D |
x,y,z |
1_555 |
64 |
24 |
17184 |
407.7 |
0.9 |
0.373 |
3 |
0 |
0 |
0.014 |
9 |
|
[I7T]C:1385 |
30 |
1 |
596 |
f |
C |
x,y,z |
1_555 |
61 |
24 |
17211 |
404.1 |
0.7 |
0.354 |
5 |
0 |
0 |
0.014 |
Average: |
405.9 |
0.8 |
0.363 |
4 |
0 |
0 |
0.014 |
5 |
10 |
|
[I7T]A:1385 |
31 |
1 |
595 |
f |
A |
x,y,z |
1_555 |
62 |
24 |
17279 |
396.0 |
0.6 |
0.344 |
5 |
0 |
0 |
0.016 |
11 |
|
[I7T]B:1385 |
31 |
1 |
591 |
f |
B |
x,y,z |
1_555 |
59 |
23 |
17246 |
395.4 |
0.6 |
0.330 |
5 |
0 |
0 |
0.016 |
Average: |
395.7 |
0.6 |
0.337 |
5 |
0 |
0 |
0.016 |
6 |
12 |
|
A |
42 |
12 |
17279 |
◊ |
C |
x,y,z-1 |
1_554 |
42 |
11 |
17211 |
362.0 |
-4.1 |
0.254 |
3 |
0 |
0 |
0.000 |
13 |
|
D |
40 |
11 |
17184 |
◊ |
B |
x,y-1,z-1 |
1_544 |
41 |
12 |
17246 |
361.9 |
-4.3 |
0.237 |
3 |
0 |
0 |
0.000 |
Average: |
361.9 |
-4.2 |
0.246 |
3 |
0 |
0 |
0.000 |
7 |
14 |
|
D |
23 |
7 |
17184 |
◊ |
B |
x,y-1,z |
1_545 |
17 |
6 |
17246 |
195.2 |
-2.3 |
0.283 |
1 |
0 |
0 |
0.000 |
15 |
|
C |
20 |
7 |
17211 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
17279 |
171.1 |
-2.1 |
0.279 |
1 |
0 |
0 |
0.000 |
Average: |
183.2 |
-2.2 |
0.281 |
1 |
0 |
0 |
0.000 |
8 |
16 |
|
C |
17 |
5 |
17211 |
◊ |
D |
x-1,y,z |
1_455 |
17 |
6 |
17184 |
141.9 |
0.9 |
0.661 |
0 |
0 |
0 |
0.000 |
17 |
|
D |
18 |
5 |
17184 |
◊ |
C |
x,y,z |
1_555 |
16 |
6 |
17211 |
141.7 |
0.8 |
0.640 |
0 |
0 |
0 |
0.000 |
Average: |
141.8 |
0.9 |
0.651 |
0 |
0 |
0 |
0.000 |
9 |
18 |
|
A |
17 |
8 |
17279 |
◊ |
B |
x-1,y,z |
1_455 |
16 |
7 |
17246 |
132.0 |
-0.8 |
0.470 |
0 |
0 |
0 |
0.000 |
10 |
19 |
|
D |
7 |
3 |
17184 |
◊ |
A |
x,y-1,z |
1_545 |
10 |
4 |
17279 |
88.3 |
-0.6 |
0.274 |
0 |
1 |
0 |
0.000 |
11 |
20 |
|
[SO4]C:1387 |
5 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
17211 |
82.8 |
-9.0 |
0.852 |
2 |
0 |
0 |
0.092 |
12 |
21 |
|
[SO4]B:1387 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
17246 |
82.4 |
-9.1 |
0.832 |
3 |
0 |
0 |
0.096 |
13 |
22 |
|
[SO4]A:1387 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
17279 |
81.1 |
-8.9 |
0.846 |
1 |
0 |
0 |
0.089 |
14 |
23 |
|
[SO4]D:1387 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
17184 |
79.0 |
-8.6 |
0.923 |
2 |
0 |
0 |
0.091 |
15 |
24 |
|
[SO4]A:1388 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
17279 |
74.5 |
-10.2 |
0.825 |
5 |
0 |
0 |
0.119 |
16 |
25 |
|
[SO4]D:1388 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
10 |
3 |
17184 |
73.6 |
-9.7 |
0.823 |
3 |
0 |
0 |
0.106 |
17 |
26 |
|
[SO4]C:1388 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
11 |
3 |
17211 |
73.3 |
-10.0 |
0.827 |
4 |
0 |
0 |
0.109 |
18 |
27 |
|
[I7T]D:1385 |
11 |
1 |
597 |
f |
[FAD]D:1384 |
x,y,z |
1_555 |
8 |
1 |
1002 |
73.2 |
-0.2 |
0.365 |
1 |
0 |
0 |
0.015 |
28 |
|
[I7T]B:1385 |
10 |
1 |
591 |
f |
[FAD]B:1384 |
x,y,z |
1_555 |
9 |
1 |
994 |
72.1 |
-0.3 |
0.333 |
1 |
0 |
0 |
0.015 |
29 |
|
[I7T]A:1385 |
10 |
1 |
595 |
f |
[FAD]A:1384 |
x,y,z |
1_555 |
9 |
1 |
987 |
71.2 |
-0.5 |
0.331 |
1 |
0 |
0 |
0.015 |
Average: |
72.2 |
-0.3 |
0.343 |
1 |
0 |
0 |
0.015 |
19 |
30 |
|
[SO4]B:1388 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
17246 |
72.6 |
-9.4 |
0.839 |
5 |
0 |
0 |
0.108 |
20 |
31 |
|
[I7T]C:1385 |
11 |
1 |
596 |
f |
[FAD]C:1384 |
x,y,z |
1_555 |
9 |
1 |
998 |
72.0 |
-0.0 |
0.382 |
1 |
0 |
0 |
0.004 |
21 |
32 |
|
[SO4]B:1386 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
17246 |
70.4 |
-8.7 |
0.947 |
4 |
0 |
0 |
0.097 |
22 |
33 |
|
[SO4]A:1386 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
17279 |
68.5 |
-8.6 |
0.946 |
3 |
0 |
0 |
0.095 |
23 |
34 |
|
[SO4]D:1386 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
17184 |
68.1 |
-8.0 |
0.944 |
5 |
0 |
0 |
0.098 |
24 |
35 |
|
[SO4]C:1386 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
17211 |
64.3 |
-7.4 |
0.947 |
5 |
0 |
0 |
0.089 |
25 |
36 |
|
C |
8 |
4 |
17211 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
1 |
17279 |
48.2 |
0.5 |
0.717 |
1 |
0 |
0 |
0.000 |
37 |
|
D |
7 |
4 |
17184 |
◊ |
B |
x-1,y-1,z |
1_445 |
3 |
1 |
17246 |
38.4 |
0.4 |
0.729 |
0 |
0 |
0 |
0.000 |
Average: |
43.3 |
0.5 |
0.723 |
1 |
0 |
0 |
0.000 |
26 |
38 |
|
[SO4]A:1388 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
17184 |
38.5 |
-3.4 |
0.973 |
1 |
0 |
0 |
0.037 |
27 |
39 |
|
[SO4]C:1388 |
4 |
1 |
186 |
◊ |
B |
x-1,y-1,z |
1_445 |
3 |
1 |
17246 |
38.4 |
-3.4 |
0.972 |
2 |
0 |
0 |
0.039 |
28 |
40 |
|
[SO4]D:1388 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
17279 |
36.9 |
-3.3 |
0.968 |
2 |
0 |
0 |
0.040 |
29 |
41 |
|
C |
3 |
1 |
17211 |
◊ |
[SO4]B:1388 |
x-1,y-1,z |
1_445 |
4 |
1 |
184 |
33.8 |
-2.9 |
0.968 |
2 |
0 |
0 |
0.035 |
30 |
42 |
|
[SO4]C:1387 |
1 |
1 |
183 |
f |
[FAD]C:1384 |
x,y,z |
1_555 |
3 |
1 |
998 |
20.1 |
-2.1 |
0.757 |
0 |
0 |
0 |
0.019 |
31 |
43 |
|
C |
4 |
2 |
17211 |
x |
C |
x-1,y,z |
1_455 |
2 |
2 |
17211 |
18.5 |
0.5 |
0.811 |
0 |
0 |
0 |
0.000 |
44 |
|
D |
4 |
2 |
17184 |
x |
D |
x-1,y,z |
1_455 |
2 |
2 |
17184 |
15.0 |
0.4 |
0.770 |
0 |
0 |
0 |
0.000 |
45 |
|
A |
2 |
2 |
17279 |
x |
A |
x-1,y,z |
1_455 |
2 |
2 |
17279 |
9.6 |
0.0 |
0.557 |
0 |
0 |
0 |
0.000 |
46 |
|
B |
3 |
3 |
17246 |
x |
B |
x-1,y,z |
1_455 |
4 |
3 |
17246 |
9.4 |
0.1 |
0.662 |
0 |
0 |
0 |
0.000 |
Average: |
13.1 |
0.3 |
0.700 |
0 |
0 |
0 |
0.000 |
32 |
47 |
|
[SO4]D:1387 |
2 |
1 |
186 |
f |
[FAD]D:1384 |
x,y,z |
1_555 |
3 |
1 |
1002 |
13.5 |
-1.3 |
0.802 |
0 |
0 |
0 |
0.013 |
33 |
48 |
|
[SO4]A:1387 |
3 |
1 |
185 |
f |
[FAD]A:1384 |
x,y,z |
1_555 |
2 |
1 |
987 |
12.4 |
-1.0 |
0.816 |
0 |
0 |
0 |
0.010 |
34 |
49 |
|
[SO4]B:1387 |
3 |
1 |
184 |
f |
[FAD]B:1384 |
x,y,z |
1_555 |
2 |
1 |
994 |
11.8 |
-1.0 |
0.806 |
0 |
0 |
0 |
0.009 |
35 |
50 |
|
[SO4]C:1388 |
2 |
1 |
186 |
◊ |
[SO4]B:1388 |
x-1,y-1,z |
1_445 |
1 |
1 |
184 |
8.0 |
-1.9 |
0.876 |
0 |
0 |
0 |
0.018 |
36 |
51 |
|
[SO4]D:1388 |
1 |
1 |
186 |
◊ |
[SO4]A:1388 |
x,y,z |
1_555 |
1 |
1 |
184 |
4.7 |
-1.1 |
0.800 |
0 |
0 |
0 |
0.011 |
37 |
52 |
|
C |
1 |
1 |
17211 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
17246 |
0.5 |
0.0 |
0.603 |
0 |
0 |
0 |
0.000 |
|