## |
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 |
|
C |
218 |
57 |
12453 |
◊ |
B |
x,y,z |
1_555 |
219 |
59 |
12680 |
2085.9 |
-17.9 |
0.111 |
31 |
11 |
0 |
0.655 |
2 |
|
D |
228 |
58 |
12154 |
◊ |
A |
x,y,z |
1_555 |
215 |
61 |
12194 |
2072.0 |
-20.8 |
0.073 |
27 |
10 |
0 |
0.655 |
Average: |
2079.0 |
-19.3 |
0.092 |
29 |
11 |
0 |
0.655 |
2 |
3 |
|
B |
150 |
39 |
12680 |
◊ |
A |
x,y,z |
1_555 |
160 |
39 |
12194 |
1300.6 |
-9.8 |
0.257 |
19 |
4 |
0 |
0.473 |
4 |
|
D |
132 |
35 |
12154 |
◊ |
C |
x,y,z |
1_555 |
133 |
33 |
12453 |
1082.9 |
-15.2 |
0.049 |
11 |
0 |
0 |
0.473 |
Average: |
1191.7 |
-12.5 |
0.153 |
15 |
2 |
0 |
0.473 |
3 |
5 |
|
C |
58 |
19 |
12453 |
◊ |
A |
-x+1,y-1/2,-z+3/2 |
3_646 |
60 |
17 |
12194 |
538.6 |
3.0 |
0.758 |
6 |
8 |
0 |
0.000 |
4 |
6 |
|
[FAD]B:310 |
39 |
1 |
948 |
f |
B |
x,y,z |
1_555 |
46 |
10 |
12680 |
375.6 |
-2.5 |
0.616 |
9 |
0 |
0 |
0.311 |
7 |
|
[FAD]A:315 |
36 |
1 |
950 |
f |
A |
x,y,z |
1_555 |
47 |
10 |
12194 |
374.3 |
-2.4 |
0.591 |
10 |
0 |
0 |
0.311 |
8 |
|
[FAD]C:305 |
38 |
1 |
957 |
f |
C |
x,y,z |
1_555 |
47 |
10 |
12453 |
363.5 |
-2.0 |
0.606 |
9 |
0 |
0 |
0.311 |
9 |
|
[FAD]D:300 |
39 |
1 |
948 |
f |
D |
x,y,z |
1_555 |
46 |
10 |
12154 |
360.8 |
-2.3 |
0.606 |
8 |
0 |
0 |
0.311 |
Average: |
368.6 |
-2.3 |
0.605 |
9 |
0 |
0 |
0.311 |
5 |
10 |
|
A |
38 |
12 |
12194 |
◊ |
B |
x-1,y,z |
1_455 |
32 |
10 |
12680 |
298.4 |
4.1 |
0.868 |
2 |
0 |
0 |
0.000 |
11 |
|
C |
31 |
10 |
12453 |
◊ |
D |
x-1,y,z |
1_455 |
31 |
11 |
12154 |
232.7 |
3.5 |
0.840 |
3 |
0 |
0 |
0.000 |
Average: |
265.6 |
3.8 |
0.854 |
3 |
0 |
0 |
0.000 |
6 |
12 |
|
[FAD]C:305 |
35 |
1 |
957 |
◊ |
A |
x,y,z |
1_555 |
32 |
11 |
12194 |
255.4 |
-0.1 |
0.708 |
4 |
0 |
0 |
0.041 |
13 |
|
[FAD]D:300 |
34 |
1 |
948 |
◊ |
B |
x,y,z |
1_555 |
30 |
11 |
12680 |
250.2 |
-0.3 |
0.678 |
4 |
0 |
0 |
0.041 |
14 |
|
[FAD]A:315 |
31 |
1 |
950 |
◊ |
C |
x,y,z |
1_555 |
28 |
10 |
12453 |
230.7 |
0.6 |
0.731 |
3 |
0 |
0 |
0.041 |
15 |
|
[FAD]B:310 |
27 |
1 |
948 |
◊ |
D |
x,y,z |
1_555 |
28 |
9 |
12154 |
213.9 |
-0.3 |
0.652 |
3 |
0 |
0 |
0.041 |
Average: |
237.6 |
-0.0 |
0.692 |
4 |
0 |
0 |
0.041 |
7 |
16 |
|
C |
25 |
8 |
12453 |
◊ |
B |
x-1,y,z |
1_455 |
28 |
10 |
12680 |
249.8 |
0.2 |
0.582 |
1 |
4 |
0 |
0.000 |
8 |
17 |
|
D |
22 |
12 |
12154 |
◊ |
B |
x,y,z |
1_555 |
21 |
11 |
12680 |
176.2 |
3.1 |
0.888 |
4 |
8 |
0 |
0.000 |
18 |
|
C |
21 |
10 |
12453 |
◊ |
A |
x,y,z |
1_555 |
23 |
11 |
12194 |
170.7 |
2.9 |
0.881 |
4 |
8 |
0 |
0.000 |
Average: |
173.5 |
3.0 |
0.885 |
4 |
8 |
0 |
0.000 |
9 |
19 |
|
B |
21 |
9 |
12680 |
◊ |
A |
-x+3/2,-y+1,z-1/2 |
2_664 |
20 |
8 |
12194 |
176.0 |
2.6 |
0.829 |
2 |
4 |
0 |
0.000 |
10 |
20 |
|
[FAD]C:305 |
16 |
1 |
957 |
◊ |
B |
x,y,z |
1_555 |
26 |
11 |
12680 |
162.1 |
1.7 |
0.765 |
4 |
0 |
0 |
0.000 |
21 |
|
[FAD]B:310 |
15 |
1 |
948 |
◊ |
C |
x,y,z |
1_555 |
26 |
10 |
12453 |
153.6 |
1.6 |
0.754 |
2 |
0 |
0 |
0.000 |
22 |
|
[FAD]A:315 |
15 |
1 |
950 |
◊ |
D |
x,y,z |
1_555 |
25 |
10 |
12154 |
149.9 |
2.0 |
0.789 |
3 |
0 |
0 |
0.000 |
23 |
|
[FAD]D:300 |
15 |
1 |
948 |
◊ |
A |
x,y,z |
1_555 |
24 |
9 |
12194 |
148.5 |
1.9 |
0.778 |
3 |
0 |
0 |
0.000 |
Average: |
153.5 |
1.8 |
0.772 |
3 |
0 |
0 |
0.000 |
11 |
24 |
|
B |
17 |
6 |
12680 |
◊ |
D |
-x+3/2,-y+1,z-1/2 |
2_664 |
14 |
5 |
12154 |
158.9 |
4.1 |
0.919 |
4 |
8 |
0 |
0.000 |
12 |
25 |
|
[UMP]A:303 |
17 |
1 |
411 |
◊ |
D |
x,y,z |
1_555 |
28 |
8 |
12154 |
157.9 |
1.0 |
0.700 |
3 |
0 |
0 |
0.027 |
26 |
|
[UMP]B:308 |
16 |
1 |
412 |
◊ |
C |
x,y,z |
1_555 |
27 |
8 |
12453 |
155.8 |
1.2 |
0.715 |
5 |
0 |
0 |
0.027 |
27 |
|
[UMP]C:313 |
17 |
1 |
413 |
◊ |
B |
x,y,z |
1_555 |
24 |
8 |
12680 |
155.2 |
1.0 |
0.702 |
3 |
0 |
0 |
0.027 |
28 |
|
[UMP]D:318 |
17 |
1 |
408 |
◊ |
A |
x,y,z |
1_555 |
27 |
8 |
12194 |
152.0 |
0.9 |
0.708 |
4 |
0 |
0 |
0.027 |
Average: |
155.2 |
1.0 |
0.706 |
4 |
0 |
0 |
0.027 |
13 |
29 |
|
[UMP]C:313 |
13 |
1 |
413 |
f |
C |
x,y,z |
1_555 |
21 |
8 |
12453 |
146.4 |
-2.1 |
0.401 |
8 |
0 |
0 |
0.251 |
30 |
|
[UMP]D:318 |
14 |
1 |
408 |
f |
D |
x,y,z |
1_555 |
22 |
8 |
12154 |
145.3 |
-1.8 |
0.422 |
7 |
0 |
0 |
0.251 |
31 |
|
[UMP]B:308 |
13 |
1 |
412 |
f |
B |
x,y,z |
1_555 |
23 |
8 |
12680 |
141.8 |
-2.2 |
0.409 |
7 |
0 |
0 |
0.251 |
32 |
|
[UMP]A:303 |
13 |
1 |
411 |
f |
A |
x,y,z |
1_555 |
22 |
8 |
12194 |
140.4 |
-2.4 |
0.395 |
7 |
0 |
0 |
0.251 |
Average: |
143.5 |
-2.1 |
0.407 |
7 |
0 |
0 |
0.251 |
14 |
33 |
|
C |
17 |
6 |
12453 |
◊ |
D |
x-1/2,-y+1/2,-z+2 |
4_457 |
16 |
5 |
12154 |
132.5 |
1.4 |
0.721 |
2 |
1 |
0 |
0.000 |
15 |
34 |
|
[FAD]B:310 |
20 |
1 |
948 |
◊ |
[UMP]C:313 |
x,y,z |
1_555 |
14 |
1 |
413 |
82.5 |
2.6 |
0.814 |
0 |
0 |
0 |
0.000 |
35 |
|
[FAD]C:305 |
20 |
1 |
957 |
◊ |
[UMP]B:308 |
x,y,z |
1_555 |
13 |
1 |
412 |
82.2 |
2.5 |
0.819 |
0 |
0 |
0 |
0.000 |
36 |
|
[FAD]A:315 |
20 |
1 |
950 |
◊ |
[UMP]D:318 |
x,y,z |
1_555 |
13 |
1 |
408 |
81.5 |
2.5 |
0.817 |
0 |
0 |
0 |
0.000 |
37 |
|
[FAD]D:300 |
20 |
1 |
948 |
◊ |
[UMP]A:303 |
x,y,z |
1_555 |
13 |
1 |
411 |
80.5 |
2.4 |
0.819 |
0 |
0 |
0 |
0.000 |
Average: |
81.7 |
2.5 |
0.817 |
0 |
0 |
0 |
0.000 |
16 |
38 |
|
A |
12 |
4 |
12194 |
◊ |
D |
-x+3/2,-y+1,z-1/2 |
2_664 |
6 |
3 |
12154 |
65.5 |
-0.8 |
0.308 |
0 |
0 |
0 |
0.000 |
17 |
39 |
|
[FAD]D:300 |
9 |
1 |
948 |
◊ |
[FAD]B:310 |
x,y,z |
1_555 |
9 |
1 |
948 |
57.8 |
-1.7 |
0.465 |
0 |
0 |
0 |
0.021 |
40 |
|
[FAD]C:305 |
9 |
1 |
957 |
◊ |
[FAD]A:315 |
x,y,z |
1_555 |
10 |
1 |
950 |
56.2 |
-1.4 |
0.495 |
0 |
0 |
0 |
0.021 |
Average: |
57.0 |
-1.6 |
0.480 |
0 |
0 |
0 |
0.021 |
18 |
41 |
|
B |
5 |
2 |
12680 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
5 |
3 |
12680 |
38.7 |
1.3 |
0.853 |
1 |
1 |
0 |
0.000 |
19 |
42 |
|
A |
6 |
2 |
12194 |
◊ |
D |
x-1,y,z |
1_455 |
6 |
3 |
12154 |
38.3 |
1.0 |
0.801 |
0 |
0 |
0 |
0.000 |
20 |
43 |
|
A |
2 |
1 |
12194 |
x |
A |
x-1,y,z |
1_455 |
4 |
3 |
12194 |
26.7 |
0.8 |
0.691 |
0 |
0 |
0 |
0.000 |
44 |
|
D |
5 |
3 |
12154 |
x |
D |
x-1,y,z |
1_455 |
2 |
1 |
12154 |
20.3 |
0.6 |
0.668 |
0 |
0 |
0 |
0.000 |
Average: |
23.5 |
0.7 |
0.680 |
0 |
0 |
0 |
0.000 |
21 |
45 |
|
C |
3 |
1 |
12453 |
◊ |
B |
-x+2,y-1/2,-z+3/2 |
3_746 |
2 |
2 |
12680 |
20.2 |
0.6 |
0.618 |
0 |
0 |
0 |
0.000 |
22 |
46 |
|
A |
1 |
1 |
12194 |
x |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
3 |
1 |
12194 |
14.6 |
0.4 |
0.620 |
0 |
0 |
0 |
0.000 |
23 |
47 |
|
A |
1 |
1 |
12194 |
◊ |
D |
-x+1/2,-y+1,z-1/2 |
2_564 |
1 |
1 |
12154 |
0.9 |
0.0 |
0.736 |
0 |
0 |
0 |
0.000 |
|