| ## |
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 |
293 |
74 |
20155 |
◊ |
A |
x,y,z |
1_555 |
286 |
75 |
19873 |
2751.4 |
-35.1 |
0.023 |
35 |
11 |
0 |
0.441 |
| 2 |
2 |
|
A |
90 |
26 |
19873 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
94 |
27 |
20155 |
720.0 |
-2.3 |
0.657 |
5 |
3 |
0 |
0.000 |
| 3 |
3 |
|
[HEM]A:501 |
42 |
1 |
819 |
f |
A |
x,y,z |
1_555 |
73 |
24 |
19873 |
525.2 |
-18.3 |
0.291 |
1 |
0 |
0 |
0.314 |
4 |
|
[HEM]B:501 |
42 |
1 |
817 |
f |
B |
x,y,z |
1_555 |
77 |
25 |
20155 |
521.4 |
-18.0 |
0.301 |
1 |
0 |
0 |
0.314 |
| Average: |
523.3 |
-18.1 |
0.296 |
1 |
0 |
0 |
0.314 |
| 4 |
5 |
|
A |
57 |
18 |
19873 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
52 |
16 |
19873 |
460.8 |
-5.1 |
0.294 |
1 |
1 |
0 |
0.000 |
| 5 |
6 |
|
B |
36 |
12 |
20155 |
x |
B |
x-1,y,z |
1_455 |
41 |
10 |
20155 |
363.7 |
-5.4 |
0.193 |
1 |
1 |
0 |
0.000 |
| 6 |
7 |
|
[9OG]A:503 |
23 |
1 |
575 |
f |
A |
x,y,z |
1_555 |
36 |
16 |
19873 |
274.3 |
-4.0 |
0.352 |
4 |
0 |
0 |
0.084 |
8 |
|
[9OG]B:503 |
24 |
1 |
576 |
f |
B |
x,y,z |
1_555 |
34 |
16 |
20155 |
271.9 |
-2.8 |
0.392 |
3 |
0 |
0 |
0.084 |
| Average: |
273.1 |
-3.4 |
0.372 |
4 |
0 |
0 |
0.084 |
| 7 |
9 |
|
[H4B]B:502 |
17 |
1 |
396 |
f |
B |
x,y,z |
1_555 |
23 |
8 |
20155 |
175.8 |
2.5 |
0.527 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]A:502 |
17 |
1 |
395 |
f |
A |
x,y,z |
1_555 |
29 |
9 |
19873 |
169.3 |
2.4 |
0.507 |
2 |
0 |
0 |
0.000 |
| Average: |
172.5 |
2.4 |
0.517 |
2 |
0 |
0 |
0.000 |
| 8 |
11 |
|
[9OG]B:503 |
17 |
1 |
576 |
f |
[HEM]B:501 |
x,y,z |
1_555 |
35 |
1 |
817 |
160.9 |
-6.1 |
0.770 |
1 |
0 |
0 |
0.105 |
12 |
|
[9OG]A:503 |
17 |
1 |
575 |
f |
[HEM]A:501 |
x,y,z |
1_555 |
35 |
1 |
819 |
160.2 |
-5.9 |
0.749 |
0 |
0 |
0 |
0.105 |
| Average: |
160.5 |
-6.0 |
0.759 |
1 |
0 |
0 |
0.105 |
| 9 |
13 |
|
[H4B]B:502 |
13 |
1 |
396 |
◊ |
A |
x,y,z |
1_555 |
25 |
6 |
19873 |
110.5 |
0.5 |
0.353 |
1 |
0 |
0 |
0.000 |
14 |
|
[H4B]A:502 |
13 |
1 |
395 |
◊ |
B |
x,y,z |
1_555 |
21 |
6 |
20155 |
108.6 |
0.4 |
0.337 |
1 |
0 |
0 |
0.000 |
| Average: |
109.5 |
0.4 |
0.345 |
1 |
0 |
0 |
0.000 |
| 10 |
15 |
|
[GOL]B:504 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
20155 |
86.6 |
-0.0 |
0.623 |
3 |
0 |
0 |
0.011 |
| 11 |
16 |
|
[GOL]A:504 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
19873 |
79.7 |
1.1 |
0.797 |
3 |
0 |
0 |
0.002 |
| 12 |
17 |
|
B |
11 |
3 |
20155 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
3 |
19873 |
65.9 |
-1.3 |
0.317 |
0 |
0 |
0 |
0.000 |
| 13 |
18 |
|
[GOL]A:504 |
6 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
13 |
3 |
20155 |
61.5 |
0.1 |
0.638 |
1 |
0 |
0 |
0.003 |
| 14 |
19 |
|
A |
9 |
5 |
19873 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
3 |
20155 |
58.3 |
-0.1 |
0.598 |
0 |
0 |
0 |
0.000 |
| 15 |
20 |
|
[GOL]B:504 |
6 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
14 |
3 |
19873 |
49.0 |
-0.1 |
0.639 |
0 |
0 |
0 |
0.001 |
| 16 |
21 |
|
[H4B]A:502 |
4 |
1 |
395 |
f |
[HEM]A:501 |
x,y,z |
1_555 |
5 |
1 |
819 |
42.6 |
-1.3 |
0.456 |
1 |
0 |
0 |
0.032 |
22 |
|
[H4B]B:502 |
3 |
1 |
396 |
f |
[HEM]B:501 |
x,y,z |
1_555 |
5 |
1 |
817 |
41.2 |
-1.2 |
0.463 |
2 |
0 |
0 |
0.032 |
| Average: |
41.9 |
-1.2 |
0.460 |
2 |
0 |
0 |
0.032 |
| 17 |
23 |
|
[GOL]B:504 |
5 |
1 |
217 |
f |
[H4B]B:502 |
x,y,z |
1_555 |
6 |
1 |
396 |
38.8 |
0.2 |
0.334 |
3 |
0 |
0 |
0.010 |
| 18 |
24 |
|
[GOL]A:504 |
5 |
1 |
219 |
f |
[H4B]A:502 |
x,y,z |
1_555 |
6 |
1 |
395 |
37.0 |
0.2 |
0.308 |
2 |
0 |
0 |
0.006 |
| 19 |
25 |
|
[ZN]B:505 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20155 |
35.0 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.255 |
26 |
|
[ZN]B:505 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19873 |
34.7 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.255 |
| Average: |
34.9 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.255 |
| 20 |
27 |
|
[9OG]B:503 |
4 |
1 |
576 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
19873 |
34.3 |
-0.5 |
0.297 |
0 |
0 |
0 |
0.006 |
28 |
|
[9OG]A:503 |
4 |
1 |
575 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
20155 |
30.3 |
-0.2 |
0.362 |
0 |
0 |
0 |
0.006 |
| Average: |
32.3 |
-0.4 |
0.329 |
0 |
0 |
0 |
0.006 |
| 21 |
29 |
|
[GOL]B:504 |
4 |
1 |
217 |
f |
[9OG]B:503 |
x,y,z |
1_555 |
8 |
1 |
576 |
33.7 |
-0.8 |
0.474 |
0 |
0 |
0 |
0.007 |
| 22 |
30 |
|
[GOL]A:504 |
3 |
1 |
219 |
f |
[9OG]A:503 |
x,y,z |
1_555 |
8 |
1 |
575 |
32.0 |
0.2 |
0.615 |
0 |
0 |
0 |
0.000 |
| 23 |
31 |
|
[9OG]A:503 |
3 |
1 |
575 |
f |
[H4B]A:502 |
x,y,z |
1_555 |
3 |
1 |
395 |
16.2 |
-0.4 |
0.329 |
0 |
0 |
0 |
0.007 |
32 |
|
[9OG]B:503 |
3 |
1 |
576 |
f |
[H4B]B:502 |
x,y,z |
1_555 |
3 |
1 |
396 |
13.4 |
-0.4 |
0.340 |
0 |
0 |
0 |
0.007 |
| Average: |
14.8 |
-0.4 |
0.335 |
0 |
0 |
0 |
0.007 |
| 24 |
33 |
|
B |
1 |
1 |
20155 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
19873 |
13.8 |
0.7 |
0.910 |
0 |
0 |
0 |
0.000 |
| 25 |
34 |
|
A |
1 |
1 |
19873 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
2 |
19873 |
9.2 |
0.1 |
0.694 |
0 |
0 |
0 |
0.000 |
|