| ## |
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 |
|
[FAD]A:1700 |
53 |
1 |
1000 |
f |
A |
x,y,z |
1_555 |
105 |
46 |
23243 |
692.7 |
-6.7 |
0.607 |
20 |
0 |
0 |
0.013 |
2 |
|
[FAD]B:1800 |
52 |
1 |
998 |
f |
B |
x,y,z |
1_555 |
108 |
48 |
23449 |
692.1 |
-6.5 |
0.585 |
19 |
0 |
0 |
0.013 |
| Average: |
692.4 |
-6.6 |
0.596 |
20 |
0 |
0 |
0.013 |
| 2 |
3 |
|
[HEM]A:804 |
43 |
1 |
804 |
f |
A |
x,y,z |
1_555 |
83 |
30 |
23243 |
607.0 |
-22.2 |
0.269 |
1 |
0 |
0 |
0.019 |
4 |
|
[HEM]B:804 |
43 |
1 |
804 |
f |
B |
x,y,z |
1_555 |
83 |
30 |
23449 |
604.0 |
-22.0 |
0.259 |
1 |
0 |
0 |
0.019 |
| Average: |
605.5 |
-22.1 |
0.264 |
1 |
0 |
0 |
0.019 |
| 3 |
5 |
|
[HEM]B:803 |
43 |
1 |
843 |
f |
B |
x,y,z |
1_555 |
76 |
27 |
23449 |
559.8 |
-22.1 |
0.160 |
2 |
0 |
0 |
0.020 |
6 |
|
[HEM]A:803 |
43 |
1 |
830 |
f |
A |
x,y,z |
1_555 |
74 |
27 |
23243 |
556.5 |
-21.7 |
0.172 |
2 |
0 |
0 |
0.020 |
| Average: |
558.1 |
-21.9 |
0.166 |
2 |
0 |
0 |
0.020 |
| 4 |
7 |
|
[HEM]B:802 |
41 |
1 |
829 |
f |
B |
x,y,z |
1_555 |
58 |
20 |
23449 |
485.5 |
-18.3 |
0.075 |
1 |
0 |
0 |
0.016 |
8 |
|
[HEM]A:802 |
41 |
1 |
834 |
f |
A |
x,y,z |
1_555 |
52 |
17 |
23243 |
483.0 |
-18.2 |
0.065 |
1 |
0 |
0 |
0.016 |
| Average: |
484.3 |
-18.2 |
0.070 |
1 |
0 |
0 |
0.016 |
| 5 |
9 |
|
[HEM]A:801 |
43 |
1 |
831 |
f |
A |
x,y,z |
1_555 |
58 |
24 |
23243 |
485.3 |
-20.3 |
0.065 |
2 |
0 |
0 |
0.018 |
10 |
|
[HEM]B:801 |
42 |
1 |
831 |
f |
B |
x,y,z |
1_555 |
58 |
23 |
23449 |
475.6 |
-19.4 |
0.073 |
2 |
0 |
0 |
0.018 |
| Average: |
480.5 |
-19.9 |
0.069 |
2 |
0 |
0 |
0.018 |
| 6 |
11 |
|
B |
27 |
9 |
23449 |
◊ |
A |
x,y,z |
1_555 |
25 |
11 |
23243 |
220.5 |
-1.6 |
0.509 |
0 |
0 |
0 |
0.000 |
12 |
|
A |
22 |
6 |
23243 |
◊ |
B |
x,y,z-1 |
1_554 |
23 |
10 |
23449 |
174.3 |
-2.4 |
0.368 |
0 |
0 |
0 |
0.000 |
| Average: |
197.4 |
-2.0 |
0.439 |
0 |
0 |
0 |
0.000 |
| 7 |
13 |
|
A |
17 |
4 |
23243 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
29 |
9 |
23243 |
215.5 |
0.5 |
0.787 |
5 |
1 |
0 |
0.000 |
14 |
|
B |
14 |
4 |
23449 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
26 |
8 |
23449 |
182.6 |
0.5 |
0.745 |
5 |
1 |
0 |
0.000 |
| Average: |
199.0 |
0.5 |
0.766 |
5 |
1 |
0 |
0.000 |
| 8 |
15 |
|
A |
15 |
5 |
23243 |
◊ |
[HEM]A:801 |
-x+1,y-1/2,-z |
2_645 |
18 |
1 |
831 |
127.7 |
-3.1 |
0.641 |
0 |
0 |
0 |
0.000 |
16 |
|
B |
16 |
6 |
23449 |
◊ |
[HEM]B:801 |
-x+1,y-1/2,-z+1 |
2_646 |
18 |
1 |
831 |
114.0 |
-2.4 |
0.714 |
0 |
0 |
0 |
0.000 |
| Average: |
120.8 |
-2.7 |
0.678 |
0 |
0 |
0 |
0.000 |
| 9 |
17 |
|
[FUM]B:1801 |
8 |
1 |
253 |
f |
B |
x,y,z |
1_555 |
24 |
14 |
23449 |
127.4 |
3.6 |
0.320 |
8 |
0 |
0 |
0.000 |
18 |
|
[FUM]A:1701 |
8 |
1 |
251 |
f |
A |
x,y,z |
1_555 |
24 |
14 |
23243 |
126.8 |
3.7 |
0.357 |
8 |
0 |
0 |
0.000 |
| Average: |
127.1 |
3.7 |
0.338 |
8 |
0 |
0 |
0.000 |
| 10 |
19 |
|
A |
19 |
5 |
23243 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
18 |
5 |
23449 |
124.8 |
-0.6 |
0.583 |
2 |
1 |
0 |
0.000 |
| 11 |
20 |
|
A |
16 |
4 |
23243 |
x |
A |
x-1,y,z |
1_455 |
14 |
6 |
23243 |
111.6 |
-1.0 |
0.414 |
0 |
0 |
0 |
0.000 |
21 |
|
B |
15 |
5 |
23449 |
x |
B |
x-1,y,z |
1_455 |
11 |
5 |
23449 |
104.4 |
-0.5 |
0.300 |
0 |
0 |
0 |
0.000 |
| Average: |
108.0 |
-0.7 |
0.357 |
0 |
0 |
0 |
0.000 |
| 12 |
22 |
|
[HEM]B:803 |
18 |
1 |
843 |
f |
[HEM]B:802 |
x,y,z |
1_555 |
16 |
1 |
829 |
99.2 |
-3.9 |
0.999 |
0 |
0 |
0 |
0.003 |
23 |
|
[HEM]A:803 |
16 |
1 |
830 |
f |
[HEM]A:802 |
x,y,z |
1_555 |
16 |
1 |
834 |
90.0 |
-2.9 |
1.000 |
0 |
0 |
0 |
0.003 |
| Average: |
94.6 |
-3.4 |
1.000 |
0 |
0 |
0 |
0.003 |
| 13 |
24 |
|
B |
16 |
6 |
23449 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
14 |
6 |
23243 |
90.6 |
-0.6 |
0.540 |
0 |
0 |
0 |
0.000 |
| 14 |
25 |
|
B |
12 |
7 |
23449 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
11 |
6 |
23449 |
90.2 |
-0.5 |
0.431 |
1 |
0 |
0 |
0.000 |
26 |
|
A |
12 |
6 |
23243 |
x |
A |
-x,y-1/2,-z |
2_545 |
13 |
8 |
23243 |
86.2 |
0.2 |
0.648 |
1 |
0 |
0 |
0.000 |
| Average: |
88.2 |
-0.2 |
0.539 |
1 |
0 |
0 |
0.000 |
| 15 |
27 |
|
[NA]A:810 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
23243 |
66.7 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.010 |
28 |
|
[NA]B:810 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
23449 |
66.7 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.010 |
| Average: |
66.7 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.010 |
| 16 |
29 |
|
[HEM]B:802 |
10 |
1 |
829 |
f |
[HEM]B:801 |
x,y,z |
1_555 |
4 |
1 |
831 |
63.9 |
-2.2 |
0.846 |
0 |
0 |
0 |
0.002 |
30 |
|
[HEM]A:802 |
11 |
1 |
834 |
f |
[HEM]A:801 |
x,y,z |
1_555 |
4 |
1 |
831 |
62.6 |
-2.1 |
0.855 |
0 |
0 |
0 |
0.002 |
| Average: |
63.3 |
-2.1 |
0.851 |
0 |
0 |
0 |
0.002 |
| 17 |
31 |
|
[FUM]B:1801 |
7 |
1 |
253 |
f |
[FAD]B:1800 |
x,y,z |
1_555 |
14 |
1 |
998 |
63.2 |
1.9 |
0.866 |
0 |
0 |
0 |
0.000 |
32 |
|
[FUM]A:1701 |
7 |
1 |
251 |
f |
[FAD]A:1700 |
x,y,z |
1_555 |
14 |
1 |
1000 |
62.7 |
1.8 |
0.863 |
0 |
0 |
0 |
0.000 |
| Average: |
62.9 |
1.9 |
0.864 |
0 |
0 |
0 |
0.000 |
| 18 |
33 |
|
A |
5 |
2 |
23243 |
◊ |
[HEM]B:802 |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
829 |
32.0 |
-0.6 |
0.692 |
0 |
0 |
0 |
0.000 |
34 |
|
B |
3 |
2 |
23449 |
◊ |
[HEM]A:802 |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
834 |
20.0 |
-0.6 |
0.456 |
0 |
0 |
0 |
0.000 |
| Average: |
26.0 |
-0.6 |
0.574 |
0 |
0 |
0 |
0.000 |
| 19 |
35 |
|
[HEM]A:804 |
3 |
1 |
804 |
f |
[HEM]A:803 |
x,y,z |
1_555 |
1 |
1 |
830 |
30.9 |
-1.0 |
0.452 |
0 |
0 |
0 |
0.000 |
36 |
|
[HEM]B:804 |
3 |
1 |
804 |
f |
[HEM]B:803 |
x,y,z |
1_555 |
1 |
1 |
843 |
29.5 |
-0.9 |
0.456 |
0 |
0 |
0 |
0.000 |
| Average: |
30.2 |
-1.0 |
0.454 |
0 |
0 |
0 |
0.001 |
| 20 |
37 |
|
B |
5 |
4 |
23449 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
7 |
3 |
23243 |
26.1 |
0.3 |
0.725 |
0 |
0 |
0 |
0.000 |
| 21 |
38 |
|
[FAD]B:1800 |
1 |
1 |
998 |
f |
[HEM]B:804 |
x,y,z |
1_555 |
2 |
1 |
804 |
20.0 |
-0.6 |
0.385 |
0 |
0 |
0 |
0.000 |
39 |
|
[FAD]A:1700 |
1 |
1 |
1000 |
f |
[HEM]A:804 |
x,y,z |
1_555 |
2 |
1 |
804 |
18.8 |
-0.6 |
0.403 |
0 |
0 |
0 |
0.000 |
| Average: |
19.4 |
-0.6 |
0.394 |
0 |
0 |
0 |
0.001 |
| 22 |
40 |
|
A |
2 |
2 |
23243 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
2 |
2 |
23449 |
4.6 |
0.1 |
0.728 |
0 |
0 |
0 |
0.000 |
|