| ## |
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 |
|
B |
297 |
74 |
20049 |
◊ |
A |
x,y,z |
1_555 |
290 |
77 |
19887 |
2810.4 |
-35.6 |
0.028 |
34 |
9 |
0 |
0.388 |
| 2 |
2 |
|
A |
96 |
28 |
19887 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
92 |
28 |
20049 |
738.2 |
-2.3 |
0.700 |
8 |
8 |
0 |
0.000 |
| 3 |
3 |
|
[HEM]A:501 |
43 |
1 |
822 |
f |
A |
x,y,z |
1_555 |
81 |
24 |
19887 |
510.9 |
-17.5 |
0.353 |
2 |
0 |
0 |
0.276 |
4 |
|
[HEM]B:501 |
43 |
1 |
816 |
f |
B |
x,y,z |
1_555 |
78 |
25 |
20049 |
508.5 |
-17.7 |
0.325 |
2 |
0 |
0 |
0.276 |
| Average: |
509.7 |
-17.6 |
0.339 |
2 |
0 |
0 |
0.276 |
| 4 |
5 |
|
A |
54 |
17 |
19887 |
x |
A |
-x,y-1/2,-z+1/2 |
4_545 |
55 |
15 |
19887 |
448.7 |
-3.9 |
0.429 |
2 |
1 |
0 |
0.000 |
| 5 |
6 |
|
[5H4]A:503 |
25 |
1 |
636 |
f |
A |
x,y,z |
1_555 |
42 |
19 |
19887 |
313.6 |
-5.2 |
0.582 |
3 |
0 |
0 |
0.100 |
7 |
|
[5H4]B:503 |
26 |
1 |
634 |
f |
B |
x,y,z |
1_555 |
39 |
19 |
20049 |
305.0 |
-5.6 |
0.567 |
3 |
0 |
0 |
0.100 |
| Average: |
309.3 |
-5.4 |
0.574 |
3 |
0 |
0 |
0.100 |
| 6 |
8 |
|
B |
35 |
11 |
20049 |
x |
B |
x-1,y,z |
1_455 |
29 |
8 |
20049 |
299.9 |
-4.1 |
0.259 |
1 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[H4B]B:502 |
17 |
1 |
392 |
f |
B |
x,y,z |
1_555 |
27 |
9 |
20049 |
177.1 |
2.3 |
0.492 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]A:502 |
17 |
1 |
397 |
f |
A |
x,y,z |
1_555 |
29 |
10 |
19887 |
175.0 |
2.4 |
0.525 |
2 |
0 |
0 |
0.000 |
| Average: |
176.0 |
2.4 |
0.509 |
2 |
0 |
0 |
0.000 |
| 8 |
11 |
|
[5H4]A:503 |
18 |
1 |
636 |
f |
[HEM]A:501 |
x,y,z |
1_555 |
31 |
1 |
822 |
169.3 |
-7.2 |
0.870 |
0 |
0 |
0 |
0.110 |
12 |
|
[5H4]B:503 |
17 |
1 |
634 |
f |
[HEM]B:501 |
x,y,z |
1_555 |
32 |
1 |
816 |
169.3 |
-7.5 |
0.834 |
0 |
0 |
0 |
0.110 |
| Average: |
169.3 |
-7.4 |
0.852 |
0 |
0 |
0 |
0.110 |
| 9 |
13 |
|
[ACT]A:504 |
4 |
1 |
180 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
19887 |
111.8 |
-1.4 |
0.463 |
2 |
0 |
0 |
0.017 |
| 10 |
14 |
|
[ACT]B:504 |
4 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
20049 |
111.8 |
-1.3 |
0.488 |
2 |
0 |
0 |
0.017 |
| 11 |
15 |
|
[H4B]A:502 |
13 |
1 |
397 |
◊ |
B |
x,y,z |
1_555 |
24 |
6 |
20049 |
110.8 |
-0.3 |
0.285 |
1 |
0 |
0 |
0.010 |
16 |
|
[H4B]B:502 |
13 |
1 |
392 |
◊ |
A |
x,y,z |
1_555 |
25 |
6 |
19887 |
110.7 |
-0.2 |
0.277 |
1 |
0 |
0 |
0.010 |
| Average: |
110.8 |
-0.2 |
0.281 |
1 |
0 |
0 |
0.010 |
| 12 |
17 |
|
[GOL]B:505 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
20049 |
84.0 |
0.3 |
0.663 |
3 |
0 |
0 |
0.008 |
| 13 |
18 |
|
[GOL]A:505 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
19887 |
83.0 |
0.2 |
0.632 |
3 |
0 |
0 |
0.008 |
| 14 |
19 |
|
B |
13 |
5 |
20049 |
◊ |
A |
-x,y-1/2,-z+1/2 |
4_545 |
12 |
5 |
19887 |
81.9 |
-0.6 |
0.536 |
1 |
0 |
0 |
0.000 |
| 15 |
20 |
|
B |
9 |
4 |
20049 |
◊ |
A |
x-1,y,z |
1_455 |
8 |
2 |
19887 |
81.6 |
1.3 |
0.683 |
0 |
0 |
0 |
0.000 |
| 16 |
21 |
|
[GOL]A:505 |
6 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
14 |
3 |
20049 |
56.1 |
0.1 |
0.656 |
0 |
0 |
0 |
0.000 |
| 17 |
22 |
|
[GOL]B:505 |
6 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
14 |
3 |
19887 |
51.8 |
0.2 |
0.665 |
0 |
0 |
0 |
0.000 |
| 18 |
23 |
|
A |
8 |
4 |
19887 |
◊ |
B |
-x,y-1/2,-z+1/2 |
4_545 |
5 |
2 |
20049 |
46.4 |
-0.6 |
0.413 |
0 |
0 |
0 |
0.000 |
| 19 |
24 |
|
[GOL]A:505 |
4 |
1 |
220 |
f |
[H4B]A:502 |
x,y,z |
1_555 |
7 |
1 |
397 |
40.5 |
0.1 |
0.299 |
3 |
0 |
0 |
0.009 |
| 20 |
25 |
|
[GOL]B:505 |
3 |
1 |
220 |
f |
[5H4]B:503 |
x,y,z |
1_555 |
10 |
1 |
634 |
40.1 |
-1.0 |
0.506 |
0 |
0 |
0 |
0.007 |
| 21 |
26 |
|
[H4B]A:502 |
5 |
1 |
397 |
f |
[HEM]A:501 |
x,y,z |
1_555 |
5 |
1 |
822 |
40.1 |
-1.3 |
0.432 |
1 |
0 |
0 |
0.026 |
27 |
|
[H4B]B:502 |
3 |
1 |
392 |
f |
[HEM]B:501 |
x,y,z |
1_555 |
5 |
1 |
816 |
39.2 |
-1.2 |
0.447 |
1 |
0 |
0 |
0.026 |
| Average: |
39.6 |
-1.3 |
0.439 |
1 |
0 |
0 |
0.026 |
| 22 |
28 |
|
[GOL]B:505 |
5 |
1 |
220 |
f |
[H4B]B:502 |
x,y,z |
1_555 |
7 |
1 |
392 |
37.3 |
0.1 |
0.275 |
4 |
0 |
0 |
0.013 |
| 23 |
29 |
|
[ZN]A:506 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20049 |
34.9 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.232 |
30 |
|
[ZN]A:506 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19887 |
34.4 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.232 |
| Average: |
34.6 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.232 |
| 24 |
31 |
|
[ACT]B:504 |
2 |
1 |
181 |
f |
[HEM]B:501 |
x,y,z |
1_555 |
5 |
1 |
816 |
34.5 |
-1.0 |
0.692 |
0 |
0 |
0 |
0.008 |
| 25 |
32 |
|
[GOL]A:505 |
3 |
1 |
220 |
f |
[5H4]A:503 |
x,y,z |
1_555 |
8 |
1 |
636 |
33.4 |
-0.9 |
0.532 |
0 |
0 |
0 |
0.007 |
| 26 |
33 |
|
[ACT]A:504 |
3 |
1 |
180 |
f |
[HEM]A:501 |
x,y,z |
1_555 |
5 |
1 |
822 |
32.2 |
-0.9 |
0.658 |
0 |
0 |
0 |
0.007 |
| 27 |
34 |
|
[5H4]B:503 |
4 |
1 |
634 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
19887 |
31.2 |
-0.5 |
0.419 |
0 |
0 |
0 |
0.008 |
35 |
|
[5H4]A:503 |
5 |
1 |
636 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
20049 |
29.5 |
-0.5 |
0.380 |
0 |
0 |
0 |
0.008 |
| Average: |
30.3 |
-0.5 |
0.400 |
0 |
0 |
0 |
0.008 |
| 28 |
36 |
|
A |
2 |
1 |
19887 |
x |
A |
-x+1,y-1/2,-z+1/2 |
4_645 |
2 |
2 |
19887 |
15.4 |
0.4 |
0.824 |
0 |
0 |
0 |
0.000 |
| 29 |
37 |
|
[5H4]A:503 |
2 |
1 |
636 |
f |
[H4B]A:502 |
x,y,z |
1_555 |
3 |
1 |
397 |
11.9 |
-0.4 |
0.377 |
0 |
0 |
0 |
0.003 |
| 30 |
38 |
|
[5H4]B:503 |
3 |
1 |
634 |
f |
[H4B]B:502 |
x,y,z |
1_555 |
3 |
1 |
392 |
10.7 |
-0.3 |
0.402 |
0 |
0 |
0 |
0.003 |
|