| ## |
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 |
268 |
68 |
20117 |
◊ |
A |
x,y,z |
1_555 |
259 |
68 |
20040 |
2615.2 |
-38.2 |
0.006 |
37 |
9 |
0 |
0.470 |
| 2 |
2 |
|
A |
68 |
19 |
20040 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
69 |
18 |
20117 |
651.9 |
-0.5 |
0.735 |
17 |
0 |
0 |
0.000 |
| 3 |
3 |
|
[HEM]A:750 |
42 |
1 |
823 |
f |
A |
x,y,z |
1_555 |
75 |
24 |
20040 |
532.5 |
-18.3 |
0.283 |
1 |
0 |
0 |
0.315 |
4 |
|
[HEM]B:750 |
41 |
1 |
820 |
f |
B |
x,y,z |
1_555 |
75 |
24 |
20117 |
523.7 |
-18.3 |
0.265 |
1 |
0 |
0 |
0.315 |
| Average: |
528.1 |
-18.3 |
0.274 |
1 |
0 |
0 |
0.315 |
| 4 |
5 |
|
B |
51 |
15 |
20117 |
x |
B |
x-1,y,z |
1_455 |
56 |
15 |
20117 |
473.2 |
0.4 |
0.725 |
4 |
0 |
0 |
0.000 |
| 5 |
6 |
|
B |
38 |
9 |
20117 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
35 |
8 |
20040 |
306.8 |
-1.9 |
0.517 |
3 |
2 |
0 |
0.000 |
| 6 |
7 |
|
[W66]B:800 |
20 |
1 |
546 |
f |
B |
x,y,z |
1_555 |
48 |
20 |
20117 |
301.9 |
-2.2 |
0.511 |
4 |
0 |
0 |
0.064 |
8 |
|
[W66]A:800 |
20 |
1 |
531 |
f |
A |
x,y,z |
1_555 |
48 |
19 |
20040 |
297.9 |
-2.8 |
0.577 |
2 |
0 |
0 |
0.064 |
| Average: |
299.9 |
-2.5 |
0.544 |
3 |
0 |
0 |
0.064 |
| 7 |
9 |
|
A |
32 |
13 |
20040 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
22 |
9 |
20117 |
232.3 |
2.8 |
0.850 |
3 |
3 |
0 |
0.000 |
| 8 |
10 |
|
[H4B]B:760 |
17 |
1 |
398 |
f |
B |
x,y,z |
1_555 |
27 |
8 |
20117 |
199.7 |
2.0 |
0.468 |
2 |
0 |
0 |
0.000 |
11 |
|
[H4B]A:760 |
17 |
1 |
397 |
f |
A |
x,y,z |
1_555 |
28 |
9 |
20040 |
198.0 |
2.1 |
0.471 |
2 |
0 |
0 |
0.000 |
| Average: |
198.8 |
2.1 |
0.469 |
2 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[W66]B:800 |
13 |
1 |
546 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
30 |
1 |
820 |
149.9 |
-4.2 |
0.765 |
0 |
0 |
0 |
0.075 |
13 |
|
[W66]A:800 |
12 |
1 |
531 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
33 |
1 |
823 |
138.3 |
-4.8 |
0.760 |
0 |
0 |
0 |
0.075 |
| Average: |
144.1 |
-4.5 |
0.763 |
0 |
0 |
0 |
0.075 |
| 10 |
14 |
|
[H4B]B:760 |
13 |
1 |
398 |
◊ |
A |
x,y,z |
1_555 |
21 |
6 |
20040 |
119.5 |
-0.1 |
0.263 |
1 |
0 |
0 |
0.009 |
15 |
|
[H4B]A:760 |
13 |
1 |
397 |
◊ |
B |
x,y,z |
1_555 |
20 |
6 |
20117 |
116.9 |
-0.1 |
0.269 |
1 |
0 |
0 |
0.009 |
| Average: |
118.2 |
-0.1 |
0.266 |
1 |
0 |
0 |
0.009 |
| 11 |
16 |
|
[ACT]B:860 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
20117 |
116.5 |
-1.4 |
0.505 |
1 |
0 |
0 |
0.016 |
| 12 |
17 |
|
[ACT]A:860 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
20040 |
113.3 |
-1.2 |
0.516 |
2 |
0 |
0 |
0.017 |
| 13 |
18 |
|
[H4B]A:760 |
4 |
1 |
397 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
823 |
41.6 |
-1.2 |
0.462 |
2 |
0 |
0 |
0.035 |
19 |
|
[H4B]B:760 |
5 |
1 |
398 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
820 |
41.4 |
-1.2 |
0.434 |
2 |
0 |
0 |
0.035 |
| Average: |
41.5 |
-1.2 |
0.448 |
2 |
0 |
0 |
0.035 |
| 14 |
20 |
|
[ZN]A:1717 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20117 |
34.6 |
-20.0 |
0.000 |
0 |
0 |
0 |
0.254 |
21 |
|
[ZN]A:1717 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20040 |
34.4 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.254 |
| Average: |
34.5 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.254 |
| 15 |
22 |
|
[ACT]B:860 |
2 |
1 |
182 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
820 |
34.0 |
-1.1 |
0.692 |
0 |
0 |
0 |
0.009 |
| 16 |
23 |
|
[ACT]A:860 |
3 |
1 |
183 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
4 |
1 |
823 |
30.3 |
-0.7 |
0.789 |
0 |
0 |
0 |
0.005 |
| 17 |
24 |
|
B |
2 |
1 |
20117 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
5 |
3 |
20117 |
23.3 |
1.1 |
0.877 |
0 |
0 |
0 |
0.000 |
| 18 |
25 |
|
[W66]A:800 |
2 |
1 |
531 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
1 |
1 |
397 |
14.6 |
-0.1 |
0.309 |
0 |
0 |
0 |
0.002 |
26 |
|
[W66]B:800 |
2 |
1 |
546 |
f |
[H4B]B:760 |
x,y,z |
1_555 |
2 |
1 |
398 |
12.8 |
-0.2 |
0.386 |
0 |
0 |
0 |
0.002 |
| Average: |
13.7 |
-0.1 |
0.347 |
0 |
0 |
0 |
0.002 |
| 19 |
27 |
|
A |
4 |
2 |
20040 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
20117 |
13.9 |
0.2 |
0.735 |
0 |
0 |
0 |
0.000 |
| 20 |
28 |
|
A |
2 |
1 |
20040 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
20040 |
7.6 |
-0.1 |
0.525 |
0 |
0 |
0 |
0.000 |
| 21 |
29 |
|
A |
2 |
1 |
20040 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
20040 |
6.8 |
-0.4 |
0.167 |
0 |
0 |
0 |
0.000 |
|