## |
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:600 |
53 |
1 |
997 |
f |
A |
x,y,z |
1_555 |
104 |
47 |
23095 |
724.8 |
-6.5 |
0.632 |
20 |
0 |
0 |
0.015 |
2 |
|
[FAD]D:900 |
53 |
1 |
1008 |
f |
D |
x,y,z |
1_555 |
107 |
47 |
24095 |
722.2 |
-8.9 |
0.515 |
16 |
0 |
0 |
0.015 |
3 |
|
[FAD]B:700 |
52 |
1 |
1004 |
f |
B |
x,y,z |
1_555 |
105 |
44 |
23676 |
705.1 |
-8.6 |
0.539 |
19 |
0 |
0 |
0.015 |
4 |
|
[FAD]C:800 |
53 |
1 |
993 |
f |
C |
x,y,z |
1_555 |
99 |
46 |
23651 |
698.5 |
-7.8 |
0.530 |
18 |
0 |
0 |
0.015 |
Average: |
712.6 |
-8.0 |
0.554 |
18 |
0 |
0 |
0.015 |
2 |
5 |
|
C |
89 |
25 |
23651 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
52 |
15 |
24095 |
618.6 |
1.8 |
0.854 |
9 |
2 |
0 |
0.000 |
6 |
|
B |
54 |
16 |
23676 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
63 |
19 |
24095 |
477.1 |
0.4 |
0.767 |
1 |
2 |
0 |
0.000 |
Average: |
547.9 |
1.1 |
0.811 |
5 |
2 |
0 |
0.000 |
3 |
7 |
|
[HEM]C:601 |
43 |
1 |
817 |
f |
C |
x,y,z |
1_555 |
76 |
31 |
23651 |
596.8 |
-23.5 |
0.202 |
1 |
0 |
0 |
0.023 |
8 |
|
[HEM]A:601 |
43 |
1 |
810 |
cf |
A |
x,y,z |
1_555 |
69 |
29 |
23095 |
567.1 |
-22.8 |
0.130 |
1 |
0 |
0 |
0.023 |
9 |
|
[HEM]B:601 |
43 |
1 |
819 |
f |
B |
x,y,z |
1_555 |
73 |
30 |
23676 |
566.6 |
-21.5 |
0.225 |
1 |
0 |
0 |
0.023 |
10 |
|
[HEM]D:601 |
42 |
1 |
801 |
f |
D |
x,y,z |
1_555 |
71 |
32 |
24095 |
553.9 |
-21.3 |
0.176 |
0 |
0 |
0 |
0.023 |
Average: |
571.1 |
-22.3 |
0.183 |
1 |
0 |
0 |
0.023 |
4 |
11 |
|
C |
58 |
17 |
23651 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
65 |
19 |
23095 |
551.3 |
-3.1 |
0.498 |
8 |
2 |
0 |
0.000 |
5 |
12 |
|
[HEM]A:602 |
42 |
1 |
841 |
cf |
A |
x,y,z |
1_555 |
60 |
23 |
23095 |
498.8 |
-18.6 |
0.240 |
1 |
0 |
0 |
0.019 |
13 |
|
[HEM]D:602 |
42 |
1 |
830 |
f |
D |
x,y,z |
1_555 |
59 |
23 |
24095 |
488.6 |
-17.6 |
0.248 |
1 |
0 |
0 |
0.019 |
14 |
|
[HEM]C:602 |
42 |
1 |
822 |
cf |
C |
x,y,z |
1_555 |
58 |
22 |
23651 |
483.5 |
-17.6 |
0.247 |
1 |
0 |
0 |
0.019 |
15 |
|
[HEM]B:602 |
41 |
1 |
810 |
f |
B |
x,y,z |
1_555 |
60 |
24 |
23676 |
477.1 |
-17.4 |
0.217 |
0 |
0 |
0 |
0.019 |
Average: |
487.0 |
-17.8 |
0.238 |
1 |
0 |
0 |
0.019 |
6 |
16 |
|
[HEM]B:603 |
43 |
1 |
804 |
f |
B |
x,y,z |
1_555 |
63 |
23 |
23676 |
490.5 |
-19.4 |
0.180 |
2 |
0 |
0 |
0.020 |
17 |
|
[HEM]A:603 |
43 |
1 |
817 |
f |
A |
x,y,z |
1_555 |
68 |
23 |
23095 |
488.4 |
-19.1 |
0.196 |
2 |
0 |
0 |
0.020 |
18 |
|
[HEM]D:603 |
43 |
1 |
809 |
f |
D |
x,y,z |
1_555 |
64 |
23 |
24095 |
488.2 |
-18.9 |
0.218 |
3 |
0 |
0 |
0.020 |
19 |
|
[HEM]C:603 |
43 |
1 |
815 |
cf |
C |
x,y,z |
1_555 |
61 |
24 |
23651 |
480.8 |
-18.9 |
0.176 |
2 |
0 |
0 |
0.020 |
Average: |
487.0 |
-19.1 |
0.193 |
2 |
0 |
0 |
0.020 |
7 |
20 |
|
[HEM]D:604 |
43 |
1 |
818 |
f |
D |
x,y,z |
1_555 |
52 |
17 |
24095 |
452.6 |
-17.6 |
0.029 |
0 |
0 |
0 |
0.017 |
21 |
|
[HEM]B:604 |
42 |
1 |
822 |
cf |
B |
x,y,z |
1_555 |
55 |
19 |
23676 |
451.8 |
-18.2 |
0.022 |
0 |
0 |
0 |
0.017 |
22 |
|
[HEM]A:604 |
42 |
1 |
840 |
cf |
A |
x,y,z |
1_555 |
52 |
17 |
23095 |
442.4 |
-17.3 |
0.032 |
0 |
0 |
0 |
0.017 |
23 |
|
[HEM]C:604 |
42 |
1 |
816 |
cf |
C |
x,y,z |
1_555 |
52 |
18 |
23651 |
435.7 |
-17.9 |
0.015 |
0 |
0 |
0 |
0.017 |
Average: |
445.6 |
-17.7 |
0.024 |
0 |
0 |
0 |
0.017 |
8 |
24 |
|
A |
55 |
20 |
23095 |
◊ |
C |
-x+1/2,y-1/2,-z |
3_545 |
47 |
16 |
23651 |
405.5 |
-3.1 |
0.498 |
4 |
1 |
0 |
0.000 |
25 |
|
D |
58 |
21 |
24095 |
◊ |
B |
-x+3/2,y-1/2,-z+1 |
3_646 |
45 |
15 |
23676 |
374.6 |
-3.2 |
0.486 |
3 |
1 |
0 |
0.000 |
26 |
|
D |
42 |
14 |
24095 |
◊ |
B |
x,y,z |
1_555 |
48 |
18 |
23676 |
345.0 |
-3.8 |
0.406 |
0 |
1 |
0 |
0.000 |
Average: |
375.0 |
-3.4 |
0.463 |
2 |
1 |
0 |
0.000 |
9 |
27 |
|
C |
51 |
17 |
23651 |
◊ |
A |
x,y,z |
1_555 |
41 |
14 |
23095 |
349.0 |
-2.9 |
0.433 |
2 |
1 |
0 |
0.000 |
10 |
28 |
|
A |
29 |
8 |
23095 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
33 |
12 |
23676 |
276.9 |
-0.9 |
0.559 |
3 |
0 |
0 |
0.000 |
11 |
29 |
|
A |
29 |
10 |
23095 |
◊ |
[HEM]C:604 |
-x+1/2,y-1/2,-z |
3_545 |
20 |
1 |
816 |
205.0 |
-5.4 |
0.826 |
3 |
0 |
0 |
0.000 |
30 |
|
D |
28 |
10 |
24095 |
◊ |
[HEM]B:604 |
-x+3/2,y-1/2,-z+1 |
3_646 |
22 |
1 |
822 |
193.3 |
-4.3 |
0.876 |
1 |
0 |
0 |
0.000 |
31 |
|
[HEM]D:604 |
21 |
1 |
818 |
◊ |
B |
x,y,z |
1_555 |
26 |
9 |
23676 |
186.0 |
-3.4 |
0.928 |
2 |
0 |
0 |
0.000 |
Average: |
194.8 |
-4.3 |
0.876 |
2 |
0 |
0 |
0.000 |
12 |
32 |
|
[HEM]A:604 |
20 |
1 |
840 |
◊ |
C |
x,y,z |
1_555 |
25 |
9 |
23651 |
186.4 |
-4.8 |
0.848 |
1 |
0 |
0 |
0.000 |
13 |
33 |
|
C |
17 |
8 |
23651 |
◊ |
B |
x-1,y,z-1 |
1_454 |
17 |
6 |
23676 |
152.5 |
-1.8 |
0.393 |
0 |
1 |
0 |
0.000 |
14 |
34 |
|
A |
19 |
7 |
23095 |
◊ |
A |
-x,-y,z |
2_555 |
19 |
7 |
23095 |
133.8 |
-1.9 |
0.403 |
0 |
0 |
0 |
0.000 |
15 |
35 |
|
[HEM]D:602 |
10 |
1 |
830 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
23676 |
103.2 |
-3.4 |
0.700 |
1 |
0 |
0 |
0.000 |
36 |
|
A |
13 |
6 |
23095 |
◊ |
[HEM]C:602 |
-x+1/2,y-1/2,-z |
3_545 |
9 |
1 |
822 |
92.4 |
-3.0 |
0.687 |
1 |
0 |
0 |
0.000 |
Average: |
97.8 |
-3.2 |
0.693 |
1 |
0 |
0 |
0.000 |
16 |
37 |
|
[SO4]D:914 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
17 |
10 |
24095 |
95.7 |
-14.6 |
0.766 |
5 |
0 |
0 |
0.014 |
17 |
38 |
|
[SO4]C:814 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
19 |
11 |
23651 |
94.8 |
-14.5 |
0.717 |
5 |
0 |
0 |
0.013 |
18 |
39 |
|
[SO4]B:714 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
23676 |
94.0 |
-14.6 |
0.762 |
5 |
0 |
0 |
0.014 |
19 |
40 |
|
[HEM]A:604 |
18 |
1 |
840 |
f |
[HEM]A:602 |
x,y,z |
1_555 |
19 |
1 |
841 |
93.9 |
-3.4 |
1.000 |
0 |
0 |
0 |
0.003 |
41 |
|
[HEM]D:604 |
18 |
1 |
818 |
f |
[HEM]D:602 |
x,y,z |
1_555 |
18 |
1 |
830 |
92.0 |
-3.3 |
1.000 |
0 |
0 |
0 |
0.003 |
42 |
|
[HEM]B:604 |
16 |
1 |
822 |
f |
[HEM]B:602 |
x,y,z |
1_555 |
17 |
1 |
810 |
90.7 |
-3.4 |
0.999 |
0 |
0 |
0 |
0.003 |
43 |
|
[HEM]C:604 |
17 |
1 |
816 |
f |
[HEM]C:602 |
x,y,z |
1_555 |
18 |
1 |
822 |
88.2 |
-3.4 |
1.000 |
0 |
0 |
0 |
0.003 |
Average: |
91.2 |
-3.4 |
1.000 |
0 |
0 |
0 |
0.003 |
20 |
44 |
|
A |
9 |
3 |
23095 |
◊ |
D |
x-1,y,z |
1_455 |
12 |
4 |
24095 |
92.7 |
-1.4 |
0.357 |
0 |
2 |
0 |
0.000 |
21 |
45 |
|
A |
10 |
3 |
23095 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
9 |
4 |
23651 |
92.6 |
0.4 |
0.702 |
0 |
0 |
0 |
0.000 |
22 |
46 |
|
D |
8 |
4 |
24095 |
◊ |
[HEM]B:602 |
-x+3/2,y-1/2,-z+1 |
3_646 |
7 |
1 |
810 |
89.7 |
-2.9 |
0.586 |
1 |
0 |
0 |
0.000 |
23 |
47 |
|
[HEM]A:602 |
6 |
1 |
841 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
23651 |
70.3 |
-1.8 |
0.727 |
1 |
0 |
0 |
0.000 |
24 |
48 |
|
[HEM]C:604 |
7 |
1 |
816 |
f |
[HEM]C:603 |
x,y,z |
1_555 |
4 |
1 |
815 |
54.0 |
-1.7 |
0.848 |
0 |
0 |
0 |
0.002 |
49 |
|
[HEM]D:604 |
6 |
1 |
818 |
f |
[HEM]D:603 |
x,y,z |
1_555 |
4 |
1 |
809 |
53.0 |
-1.7 |
0.830 |
0 |
0 |
0 |
0.002 |
50 |
|
[HEM]A:604 |
10 |
1 |
840 |
f |
[HEM]A:603 |
x,y,z |
1_555 |
4 |
1 |
817 |
52.0 |
-1.7 |
0.872 |
0 |
0 |
0 |
0.002 |
51 |
|
[HEM]B:604 |
6 |
1 |
822 |
f |
[HEM]B:603 |
x,y,z |
1_555 |
4 |
1 |
804 |
51.9 |
-1.7 |
0.833 |
0 |
0 |
0 |
0.002 |
Average: |
52.7 |
-1.7 |
0.846 |
0 |
0 |
0 |
0.002 |
25 |
52 |
|
D |
8 |
4 |
24095 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
9 |
5 |
23676 |
54.0 |
-0.8 |
0.462 |
0 |
0 |
0 |
0.000 |
26 |
53 |
|
[SO4]C:814 |
4 |
1 |
187 |
f |
[FAD]C:800 |
x,y,z |
1_555 |
15 |
1 |
993 |
53.5 |
-6.5 |
0.855 |
0 |
0 |
0 |
0.005 |
27 |
54 |
|
[SO4]D:914 |
4 |
1 |
188 |
f |
[FAD]D:900 |
x,y,z |
1_555 |
14 |
1 |
1008 |
52.5 |
-6.1 |
0.859 |
0 |
0 |
0 |
0.005 |
28 |
55 |
|
[SO4]B:714 |
4 |
1 |
186 |
f |
[FAD]B:700 |
x,y,z |
1_555 |
14 |
1 |
1004 |
51.6 |
-5.9 |
0.872 |
0 |
0 |
0 |
0.005 |
29 |
56 |
|
C |
5 |
2 |
23651 |
◊ |
B |
x,y,z |
1_555 |
5 |
4 |
23676 |
50.3 |
-0.7 |
0.378 |
0 |
0 |
0 |
0.000 |
30 |
57 |
|
D |
3 |
2 |
24095 |
◊ |
D |
-x+2,-y,z |
2_755 |
3 |
2 |
24095 |
46.4 |
-1.5 |
0.089 |
0 |
0 |
0 |
0.000 |
31 |
58 |
|
A |
3 |
1 |
23095 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
6 |
3 |
23676 |
36.7 |
0.1 |
0.596 |
0 |
0 |
0 |
0.000 |
59 |
|
C |
1 |
1 |
23651 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
24095 |
13.2 |
0.0 |
0.380 |
0 |
0 |
0 |
0.000 |
Average: |
25.0 |
0.1 |
0.488 |
0 |
0 |
0 |
0.000 |
32 |
60 |
|
A |
5 |
2 |
23095 |
◊ |
D |
x,y,z-1 |
1_554 |
3 |
3 |
24095 |
33.2 |
-0.5 |
0.348 |
0 |
0 |
0 |
0.000 |
33 |
61 |
|
[HEM]B:602 |
1 |
1 |
810 |
f |
[HEM]B:601 |
x,y,z |
1_555 |
2 |
1 |
819 |
31.5 |
-1.0 |
0.392 |
0 |
0 |
0 |
0.000 |
62 |
|
[HEM]A:602 |
1 |
1 |
841 |
f |
[HEM]A:601 |
x,y,z |
1_555 |
2 |
1 |
810 |
30.7 |
-1.0 |
0.390 |
0 |
0 |
0 |
0.000 |
63 |
|
[HEM]D:602 |
1 |
1 |
830 |
f |
[HEM]D:601 |
x,y,z |
1_555 |
2 |
1 |
801 |
30.5 |
-1.0 |
0.395 |
0 |
0 |
0 |
0.000 |
64 |
|
[HEM]C:602 |
1 |
1 |
822 |
f |
[HEM]C:601 |
x,y,z |
1_555 |
2 |
1 |
817 |
29.0 |
-0.9 |
0.420 |
0 |
0 |
0 |
0.000 |
Average: |
30.4 |
-1.0 |
0.399 |
0 |
0 |
0 |
0.001 |
34 |
65 |
|
[FAD]B:700 |
2 |
1 |
1004 |
f |
[HEM]B:601 |
x,y,z |
1_555 |
2 |
1 |
819 |
24.5 |
-0.9 |
0.451 |
0 |
0 |
0 |
0.000 |
66 |
|
[FAD]C:800 |
2 |
1 |
993 |
f |
[HEM]C:601 |
x,y,z |
1_555 |
2 |
1 |
817 |
20.8 |
-0.7 |
0.496 |
0 |
0 |
0 |
0.000 |
67 |
|
[FAD]A:600 |
2 |
1 |
997 |
f |
[HEM]A:601 |
x,y,z |
1_555 |
2 |
1 |
810 |
20.2 |
-0.8 |
0.463 |
0 |
0 |
0 |
0.000 |
68 |
|
[FAD]D:900 |
1 |
1 |
1008 |
f |
[HEM]D:601 |
x,y,z |
1_555 |
1 |
1 |
801 |
19.5 |
-0.6 |
0.299 |
0 |
0 |
0 |
0.000 |
Average: |
21.3 |
-0.7 |
0.427 |
0 |
0 |
0 |
0.001 |
35 |
69 |
|
A |
1 |
1 |
23095 |
◊ |
A |
-x+1,-y,z |
2_655 |
1 |
1 |
23095 |
24.4 |
-0.8 |
0.078 |
0 |
0 |
0 |
0.000 |
|