| ## |
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 |
71 |
24 |
17467 |
◊ |
B |
x,y,z |
1_555 |
73 |
24 |
17269 |
823.4 |
-3.3 |
0.365 |
10 |
2 |
0 |
0.081 |
2 |
|
A |
73 |
24 |
17573 |
◊ |
C |
x,y-1,z |
1_545 |
72 |
25 |
17523 |
803.4 |
-3.2 |
0.385 |
8 |
2 |
0 |
0.081 |
| Average: |
813.4 |
-3.3 |
0.375 |
9 |
2 |
0 |
0.081 |
| 2 |
3 |
|
[FAD]B:403 |
52 |
1 |
1000 |
f |
B |
x,y,z |
1_555 |
99 |
40 |
17269 |
686.9 |
-5.4 |
0.501 |
12 |
0 |
0 |
0.198 |
4 |
|
[FAD]C:402 |
53 |
1 |
1002 |
f |
C |
x,y,z |
1_555 |
93 |
40 |
17523 |
678.1 |
-3.8 |
0.600 |
12 |
0 |
0 |
0.198 |
5 |
|
[FAD]A:403 |
51 |
1 |
999 |
f |
A |
x,y,z |
1_555 |
93 |
39 |
17573 |
673.6 |
-3.2 |
0.617 |
14 |
0 |
0 |
0.198 |
6 |
|
[FAD]D:402 |
53 |
1 |
1000 |
f |
D |
x,y,z |
1_555 |
90 |
38 |
17467 |
669.3 |
-4.2 |
0.611 |
11 |
0 |
0 |
0.198 |
| Average: |
676.9 |
-4.2 |
0.582 |
12 |
0 |
0 |
0.198 |
| 3 |
7 |
|
[T1C]A:404 |
39 |
1 |
816 |
f |
A |
x,y,z |
1_555 |
77 |
28 |
17573 |
530.3 |
-2.6 |
0.531 |
6 |
0 |
0 |
0.040 |
8 |
|
[T1C]B:405 |
40 |
1 |
826 |
f |
B |
x,y,z |
1_555 |
72 |
26 |
17269 |
487.5 |
-1.8 |
0.560 |
5 |
0 |
0 |
0.040 |
| Average: |
508.9 |
-2.2 |
0.546 |
6 |
0 |
0 |
0.040 |
| 4 |
9 |
|
[T1C]D:401 |
37 |
1 |
826 |
f |
D |
x,y,z |
1_555 |
76 |
27 |
17467 |
503.3 |
-2.5 |
0.518 |
3 |
0 |
0 |
0.039 |
| 5 |
10 |
|
B |
58 |
15 |
17269 |
◊ |
A |
x,y,z |
1_555 |
46 |
17 |
17573 |
473.4 |
-3.5 |
0.258 |
3 |
3 |
0 |
0.000 |
| 6 |
11 |
|
[T1C]C:401 |
36 |
1 |
821 |
f |
C |
x,y,z |
1_555 |
69 |
25 |
17523 |
454.6 |
-0.5 |
0.660 |
4 |
0 |
0 |
0.019 |
| 7 |
12 |
|
C |
46 |
14 |
17523 |
◊ |
B |
x,y,z-1 |
1_554 |
45 |
13 |
17269 |
381.4 |
-4.0 |
0.233 |
2 |
0 |
0 |
0.000 |
13 |
|
A |
44 |
12 |
17573 |
◊ |
D |
x-1,y-1,z-1 |
1_444 |
44 |
13 |
17467 |
365.5 |
-4.7 |
0.179 |
2 |
0 |
0 |
0.000 |
| Average: |
373.4 |
-4.3 |
0.206 |
2 |
0 |
0 |
0.000 |
| 8 |
14 |
|
C |
27 |
9 |
17523 |
◊ |
B |
x,y,z |
1_555 |
22 |
9 |
17269 |
208.6 |
-1.7 |
0.361 |
0 |
0 |
0 |
0.000 |
15 |
|
A |
16 |
6 |
17573 |
◊ |
D |
x-1,y-1,z |
1_445 |
27 |
9 |
17467 |
172.8 |
-1.4 |
0.385 |
0 |
0 |
0 |
0.000 |
| Average: |
190.7 |
-1.6 |
0.373 |
0 |
0 |
0 |
0.000 |
| 9 |
16 |
|
C |
25 |
9 |
17523 |
◊ |
D |
x-1,y,z |
1_455 |
23 |
8 |
17467 |
189.9 |
0.3 |
0.580 |
1 |
0 |
0 |
0.000 |
17 |
|
D |
22 |
7 |
17467 |
◊ |
C |
x,y,z |
1_555 |
18 |
7 |
17523 |
169.0 |
0.4 |
0.553 |
0 |
0 |
0 |
0.000 |
| Average: |
179.4 |
0.4 |
0.566 |
1 |
0 |
0 |
0.000 |
| 10 |
18 |
|
A |
17 |
5 |
17573 |
◊ |
B |
x-1,y,z |
1_455 |
20 |
9 |
17269 |
148.1 |
0.6 |
0.629 |
2 |
1 |
0 |
0.000 |
| 11 |
19 |
|
[SO4]B:402 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
17269 |
118.7 |
-18.8 |
0.690 |
6 |
0 |
0 |
0.215 |
| 12 |
20 |
|
A |
11 |
3 |
17573 |
x |
A |
x-1,y,z |
1_455 |
18 |
5 |
17573 |
109.3 |
-1.2 |
0.273 |
0 |
0 |
0 |
0.000 |
21 |
|
D |
11 |
5 |
17467 |
x |
D |
x-1,y,z |
1_455 |
10 |
4 |
17467 |
76.7 |
0.3 |
0.614 |
1 |
0 |
0 |
0.000 |
22 |
|
C |
10 |
3 |
17523 |
x |
C |
x-1,y,z |
1_455 |
11 |
4 |
17523 |
64.1 |
-0.5 |
0.471 |
0 |
0 |
0 |
0.000 |
23 |
|
B |
8 |
2 |
17269 |
x |
B |
x-1,y,z |
1_455 |
9 |
4 |
17269 |
50.0 |
0.1 |
0.580 |
0 |
0 |
0 |
0.000 |
| Average: |
75.0 |
-0.3 |
0.485 |
0 |
0 |
0 |
0.000 |
| 13 |
24 |
|
C |
11 |
3 |
17523 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
17573 |
100.0 |
0.9 |
0.732 |
2 |
2 |
0 |
0.000 |
| 14 |
25 |
|
A |
8 |
2 |
17573 |
◊ |
D |
x,y-1,z |
1_545 |
14 |
5 |
17467 |
92.2 |
1.2 |
0.788 |
1 |
0 |
0 |
0.000 |
26 |
|
C |
13 |
4 |
17523 |
◊ |
B |
x-1,y,z |
1_455 |
8 |
2 |
17269 |
81.5 |
1.1 |
0.780 |
1 |
0 |
0 |
0.000 |
| Average: |
86.9 |
1.2 |
0.784 |
1 |
0 |
0 |
0.000 |
| 15 |
27 |
|
[SO4]A:402 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
17573 |
84.5 |
-12.9 |
0.597 |
3 |
0 |
0 |
0.036 |
| 16 |
28 |
|
[T1C]B:405 |
13 |
1 |
826 |
f |
[FAD]B:403 |
x,y,z |
1_555 |
8 |
1 |
1000 |
78.1 |
-0.3 |
0.612 |
1 |
0 |
0 |
0.008 |
29 |
|
[T1C]A:404 |
11 |
1 |
816 |
f |
[FAD]A:403 |
x,y,z |
1_555 |
9 |
1 |
999 |
77.9 |
-0.3 |
0.608 |
1 |
0 |
0 |
0.008 |
| Average: |
78.0 |
-0.3 |
0.610 |
1 |
0 |
0 |
0.008 |
| 17 |
30 |
|
[T1C]D:401 |
12 |
1 |
826 |
f |
[FAD]D:402 |
x,y,z |
1_555 |
9 |
1 |
1000 |
76.0 |
-0.2 |
0.642 |
1 |
0 |
0 |
0.006 |
| 18 |
31 |
|
[T1C]C:401 |
11 |
1 |
821 |
f |
[FAD]C:402 |
x,y,z |
1_555 |
9 |
1 |
1002 |
73.9 |
-0.1 |
0.639 |
1 |
0 |
0 |
0.005 |
| 19 |
32 |
|
[SO4]B:401 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
17269 |
71.8 |
-10.2 |
0.747 |
2 |
0 |
0 |
0.111 |
| 20 |
33 |
|
[SO4]B:404 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
13 |
4 |
17467 |
70.6 |
-9.8 |
0.754 |
2 |
0 |
0 |
0.107 |
| 21 |
34 |
|
[SO4]B:406 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
17269 |
70.5 |
-8.4 |
0.943 |
2 |
0 |
0 |
0.093 |
| 22 |
35 |
|
[SO4]A:401 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
17573 |
70.2 |
-8.5 |
0.943 |
3 |
0 |
0 |
0.025 |
| 23 |
36 |
|
[SO4]B:404 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
17269 |
39.7 |
-3.2 |
0.967 |
1 |
0 |
0 |
0.036 |
| 24 |
37 |
|
[SO4]B:401 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
17467 |
37.2 |
-3.1 |
0.974 |
1 |
0 |
0 |
0.035 |
| 25 |
38 |
|
[T1C]B:405 |
3 |
1 |
826 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
17573 |
36.2 |
0.2 |
0.513 |
0 |
0 |
0 |
0.000 |
| 26 |
39 |
|
[SO4]A:402 |
2 |
1 |
185 |
◊ |
D |
x-1,y-1,z |
1_445 |
1 |
1 |
17467 |
16.4 |
-1.6 |
0.932 |
0 |
0 |
0 |
0.000 |
| 27 |
40 |
|
[SO4]B:404 |
3 |
1 |
186 |
◊ |
[SO4]B:401 |
x,y,z |
1_555 |
3 |
1 |
186 |
13.6 |
-3.0 |
0.992 |
0 |
0 |
0 |
0.030 |
| 28 |
41 |
|
[SO4]A:402 |
1 |
1 |
185 |
◊ |
[T1C]D:401 |
x-1,y-1,z |
1_445 |
2 |
1 |
826 |
6.6 |
-0.9 |
0.592 |
0 |
0 |
0 |
0.000 |
| 29 |
42 |
|
[T1C]A:404 |
1 |
1 |
816 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
17269 |
3.7 |
0.1 |
0.558 |
0 |
0 |
0 |
0.000 |
|