## |
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 |
87 |
23 |
7839 |
◊ |
C |
x,y,z |
1_555 |
88 |
23 |
7681 |
843.3 |
-9.0 |
0.399 |
9 |
0 |
0 |
0.206 |
2 |
|
B |
90 |
22 |
7923 |
◊ |
A |
x,y,z |
1_555 |
82 |
22 |
7676 |
814.2 |
-10.5 |
0.325 |
8 |
0 |
0 |
0.206 |
Average: |
828.8 |
-9.7 |
0.362 |
9 |
0 |
0 |
0.206 |
2 |
3 |
|
D |
83 |
19 |
7839 |
◊ |
A |
x,y,z |
1_555 |
70 |
17 |
7676 |
681.1 |
-4.5 |
0.646 |
8 |
2 |
0 |
0.105 |
4 |
|
B |
81 |
19 |
7923 |
◊ |
C |
x,y,z |
1_555 |
66 |
16 |
7681 |
667.9 |
-4.2 |
0.653 |
9 |
4 |
0 |
0.105 |
Average: |
674.5 |
-4.4 |
0.649 |
9 |
3 |
0 |
0.105 |
3 |
5 |
|
[HEM]A:201 |
43 |
1 |
838 |
f |
A |
x,y,z |
1_555 |
72 |
26 |
7676 |
603.4 |
-19.3 |
0.585 |
2 |
0 |
0 |
0.318 |
6 |
|
[HEM]C:201 |
43 |
1 |
838 |
f |
C |
x,y,z |
1_555 |
73 |
26 |
7681 |
599.3 |
-21.2 |
0.420 |
2 |
0 |
0 |
0.318 |
Average: |
601.4 |
-20.2 |
0.502 |
2 |
0 |
0 |
0.318 |
4 |
7 |
|
[HEM]D:201 |
43 |
1 |
826 |
f |
D |
x,y,z |
1_555 |
63 |
24 |
7839 |
560.4 |
-18.9 |
0.341 |
0 |
0 |
0 |
0.272 |
5 |
8 |
|
[HEM]B:201 |
43 |
1 |
847 |
f |
B |
x,y,z |
1_555 |
66 |
25 |
7923 |
558.2 |
-18.7 |
0.335 |
0 |
0 |
0 |
0.273 |
6 |
9 |
|
B |
48 |
15 |
7923 |
◊ |
C |
-x+1,y-1/2,-z+2 |
2_647 |
43 |
11 |
7681 |
353.2 |
0.3 |
0.824 |
8 |
0 |
0 |
0.000 |
7 |
10 |
|
C |
30 |
9 |
7681 |
◊ |
A |
x,y,z |
1_555 |
31 |
9 |
7676 |
291.6 |
3.2 |
0.935 |
6 |
4 |
0 |
0.000 |
8 |
11 |
|
A |
33 |
12 |
7676 |
◊ |
B |
x,y,z-1 |
1_554 |
32 |
12 |
7923 |
265.3 |
-2.9 |
0.526 |
4 |
0 |
0 |
0.000 |
9 |
12 |
|
D |
24 |
8 |
7839 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
33 |
11 |
7681 |
258.1 |
-3.7 |
0.387 |
0 |
2 |
0 |
0.000 |
10 |
13 |
|
D |
29 |
9 |
7839 |
◊ |
A |
x-1,y,z |
1_455 |
25 |
10 |
7676 |
255.7 |
1.3 |
0.854 |
1 |
1 |
0 |
0.000 |
11 |
14 |
|
[3U8]C:202 |
18 |
1 |
573 |
cf |
C |
x,y,z |
1_555 |
29 |
9 |
7681 |
230.1 |
1.9 |
0.666 |
1 |
0 |
0 |
0.000 |
12 |
15 |
|
[3U8]A:202 |
19 |
1 |
566 |
cf |
A |
x,y,z |
1_555 |
28 |
10 |
7676 |
225.7 |
2.8 |
0.698 |
0 |
0 |
0 |
0.000 |
13 |
16 |
|
D |
22 |
7 |
7839 |
◊ |
C |
x,y,z-1 |
1_554 |
21 |
8 |
7681 |
200.9 |
-1.8 |
0.527 |
1 |
0 |
0 |
0.000 |
14 |
17 |
|
D |
22 |
6 |
7839 |
◊ |
B |
x-1,y,z |
1_455 |
25 |
6 |
7923 |
198.7 |
1.6 |
0.852 |
3 |
0 |
0 |
0.000 |
15 |
18 |
|
D |
21 |
7 |
7839 |
◊ |
C |
-x,y-1/2,-z+2 |
2_547 |
25 |
9 |
7681 |
188.9 |
-0.7 |
0.672 |
1 |
0 |
0 |
0.000 |
16 |
19 |
|
[3U8]A:202 |
15 |
1 |
566 |
◊ |
C |
x,y,z |
1_555 |
25 |
8 |
7681 |
188.9 |
-3.1 |
0.432 |
1 |
0 |
0 |
0.054 |
20 |
|
[3U8]C:202 |
14 |
1 |
573 |
◊ |
A |
x,y,z |
1_555 |
23 |
6 |
7676 |
169.5 |
-5.3 |
0.349 |
0 |
0 |
0 |
0.054 |
Average: |
179.2 |
-4.2 |
0.390 |
1 |
0 |
0 |
0.054 |
17 |
21 |
|
D |
16 |
6 |
7839 |
x |
D |
-x,y-1/2,-z+1 |
2_546 |
16 |
6 |
7839 |
163.7 |
-1.2 |
0.533 |
1 |
0 |
0 |
0.000 |
18 |
22 |
|
B |
12 |
5 |
7923 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
23 |
9 |
7676 |
134.4 |
-1.2 |
0.481 |
0 |
0 |
0 |
0.000 |
19 |
23 |
|
[SO4]B:202 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
7923 |
118.0 |
-17.5 |
0.699 |
1 |
0 |
0 |
0.263 |
20 |
24 |
|
[HEM]D:201 |
7 |
1 |
826 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
17 |
6 |
7681 |
108.7 |
-4.7 |
0.403 |
0 |
0 |
0 |
0.000 |
21 |
25 |
|
B |
14 |
3 |
7923 |
x |
B |
-x+1,y-1/2,-z+2 |
2_647 |
11 |
5 |
7923 |
106.1 |
-0.7 |
0.533 |
0 |
0 |
0 |
0.000 |
22 |
26 |
|
B |
8 |
3 |
7923 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
9 |
3 |
7676 |
98.0 |
-2.5 |
0.172 |
0 |
0 |
0 |
0.000 |
23 |
27 |
|
A |
12 |
3 |
7676 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
4 |
7676 |
94.8 |
-0.6 |
0.623 |
1 |
1 |
0 |
0.000 |
24 |
28 |
|
[SO4]D:202 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
7839 |
90.1 |
-14.0 |
0.773 |
4 |
0 |
0 |
0.227 |
25 |
29 |
|
A |
9 |
5 |
7676 |
◊ |
[HEM]B:201 |
x,y,z-1 |
1_554 |
7 |
1 |
847 |
75.2 |
-3.4 |
0.556 |
1 |
0 |
0 |
0.000 |
26 |
30 |
|
C |
7 |
3 |
7681 |
◊ |
A |
x-1,y,z |
1_455 |
11 |
4 |
7676 |
70.2 |
-1.4 |
0.383 |
0 |
0 |
0 |
0.000 |
27 |
31 |
|
A |
11 |
4 |
7676 |
◊ |
C |
x,y,z-1 |
1_554 |
11 |
4 |
7681 |
67.9 |
-0.7 |
0.599 |
0 |
0 |
0 |
0.000 |
28 |
32 |
|
D |
8 |
3 |
7839 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
7923 |
65.0 |
0.3 |
0.730 |
0 |
0 |
0 |
0.000 |
29 |
33 |
|
[3U8]A:202 |
7 |
1 |
566 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
7923 |
41.3 |
-0.2 |
0.343 |
0 |
0 |
0 |
0.003 |
30 |
34 |
|
[HEM]B:201 |
5 |
1 |
847 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
5 |
3 |
7676 |
39.9 |
-1.7 |
0.602 |
0 |
0 |
0 |
0.000 |
31 |
35 |
|
[3U8]C:202 |
5 |
1 |
573 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
7839 |
28.5 |
-1.2 |
0.256 |
0 |
0 |
0 |
0.018 |
32 |
36 |
|
[SO4]D:202 |
2 |
1 |
187 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
4 |
3 |
7839 |
16.5 |
-2.2 |
0.738 |
0 |
0 |
0 |
0.000 |
33 |
37 |
|
[3U8]C:202 |
3 |
1 |
573 |
◊ |
[3U8]A:202 |
x,y,z |
1_555 |
3 |
1 |
566 |
14.4 |
0.4 |
0.408 |
0 |
0 |
0 |
0.000 |
34 |
38 |
|
A |
2 |
1 |
7676 |
◊ |
[HEM]C:201 |
x,y,z-1 |
1_554 |
3 |
1 |
838 |
11.1 |
-0.2 |
0.844 |
0 |
0 |
0 |
0.000 |
35 |
39 |
|
[HEM]A:201 |
1 |
1 |
838 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
7839 |
4.7 |
0.1 |
0.857 |
0 |
0 |
0 |
0.000 |
40 |
|
[HEM]C:201 |
1 |
1 |
838 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
7923 |
3.2 |
0.1 |
0.881 |
0 |
0 |
0 |
0.000 |
Average: |
4.0 |
0.1 |
0.869 |
0 |
0 |
0 |
0.000 |
36 |
41 |
|
B |
1 |
1 |
7923 |
◊ |
[HEM]A:201 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
838 |
3.9 |
-0.0 |
0.835 |
0 |
0 |
0 |
0.000 |
37 |
42 |
|
[HEM]A:201 |
1 |
1 |
838 |
◊ |
C |
x,y,z-1 |
1_554 |
1 |
1 |
7681 |
1.1 |
-0.1 |
0.706 |
0 |
0 |
0 |
0.000 |
38 |
43 |
|
D |
1 |
1 |
7839 |
◊ |
B |
x,y,z-1 |
1_554 |
1 |
1 |
7923 |
0.9 |
0.0 |
0.675 |
0 |
0 |
0 |
0.000 |
39 |
44 |
|
B |
1 |
1 |
7923 |
◊ |
[HEM]C:201 |
-x+1,y-1/2,-z+2 |
2_647 |
1 |
1 |
838 |
0.7 |
-0.0 |
0.811 |
0 |
0 |
0 |
0.000 |
|