| ## |
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 |
269 |
71 |
20395 |
◊ |
A |
x,y,z |
1_555 |
270 |
69 |
20316 |
2638.8 |
-39.5 |
0.005 |
38 |
8 |
0 |
0.554 |
| 2 |
2 |
|
A |
67 |
19 |
20316 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
70 |
18 |
20395 |
653.4 |
-1.7 |
0.655 |
13 |
0 |
0 |
0.000 |
| 3 |
3 |
|
[HEM]A:750 |
43 |
1 |
822 |
f |
A |
x,y,z |
1_555 |
80 |
24 |
20316 |
519.8 |
-17.2 |
0.311 |
0 |
0 |
0 |
0.331 |
4 |
|
[HEM]B:750 |
43 |
1 |
819 |
f |
B |
x,y,z |
1_555 |
79 |
23 |
20395 |
516.3 |
-17.2 |
0.295 |
0 |
0 |
0 |
0.331 |
| Average: |
518.0 |
-17.2 |
0.303 |
0 |
0 |
0 |
0.331 |
| 4 |
5 |
|
B |
51 |
15 |
20395 |
x |
B |
x-1,y,z |
1_455 |
53 |
15 |
20395 |
473.2 |
-1.0 |
0.634 |
1 |
0 |
0 |
0.000 |
| 5 |
6 |
|
[59R]A:800 |
25 |
1 |
625 |
f |
A |
x,y,z |
1_555 |
50 |
19 |
20316 |
359.6 |
5.2 |
0.379 |
2 |
0 |
0 |
0.000 |
7 |
|
[59R]B:800 |
25 |
1 |
634 |
f |
B |
x,y,z |
1_555 |
48 |
20 |
20395 |
355.6 |
5.3 |
0.360 |
2 |
0 |
0 |
0.000 |
| Average: |
357.6 |
5.2 |
0.370 |
2 |
0 |
0 |
0.000 |
| 6 |
8 |
|
B |
38 |
11 |
20395 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
33 |
8 |
20316 |
294.3 |
-1.7 |
0.522 |
1 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[H4B]B:760 |
17 |
1 |
398 |
f |
B |
x,y,z |
1_555 |
26 |
8 |
20395 |
191.4 |
1.7 |
0.437 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]A:760 |
17 |
1 |
400 |
f |
A |
x,y,z |
1_555 |
29 |
9 |
20316 |
189.3 |
1.9 |
0.446 |
2 |
0 |
0 |
0.000 |
| Average: |
190.4 |
1.8 |
0.442 |
2 |
0 |
0 |
0.000 |
| 8 |
11 |
|
[59R]B:800 |
18 |
1 |
634 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
31 |
1 |
819 |
174.2 |
-4.4 |
0.172 |
4 |
0 |
0 |
0.113 |
12 |
|
[59R]A:800 |
18 |
1 |
625 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
31 |
1 |
822 |
169.7 |
-4.3 |
0.188 |
3 |
0 |
0 |
0.113 |
| Average: |
172.0 |
-4.3 |
0.180 |
4 |
0 |
0 |
0.113 |
| 9 |
13 |
|
A |
21 |
11 |
20316 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
22 |
9 |
20395 |
161.8 |
0.0 |
0.679 |
2 |
3 |
0 |
0.000 |
| 10 |
14 |
|
[H4B]B:760 |
13 |
1 |
398 |
◊ |
A |
x,y,z |
1_555 |
21 |
6 |
20316 |
116.8 |
-0.2 |
0.254 |
1 |
0 |
0 |
0.012 |
15 |
|
[H4B]A:760 |
13 |
1 |
400 |
◊ |
B |
x,y,z |
1_555 |
23 |
6 |
20395 |
114.5 |
-0.1 |
0.272 |
1 |
0 |
0 |
0.012 |
| Average: |
115.7 |
-0.2 |
0.263 |
1 |
0 |
0 |
0.012 |
| 11 |
16 |
|
[ACT]B:860 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
20395 |
115.1 |
-1.5 |
0.481 |
1 |
0 |
0 |
0.018 |
| 12 |
17 |
|
[ACT]A:860 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
20316 |
113.1 |
-1.3 |
0.489 |
1 |
0 |
0 |
0.017 |
| 13 |
18 |
|
[H4B]A:760 |
4 |
1 |
400 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
822 |
40.4 |
-1.0 |
0.474 |
2 |
0 |
0 |
0.038 |
19 |
|
[H4B]B:760 |
4 |
1 |
398 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
819 |
39.3 |
-1.1 |
0.466 |
2 |
0 |
0 |
0.038 |
| Average: |
39.8 |
-1.1 |
0.470 |
2 |
0 |
0 |
0.038 |
| 14 |
20 |
|
[ACT]B:860 |
3 |
1 |
182 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
819 |
35.0 |
-1.1 |
0.752 |
0 |
0 |
0 |
0.010 |
| 15 |
21 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20316 |
34.6 |
-20.6 |
0.000 |
0 |
0 |
0 |
0.281 |
22 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20395 |
34.4 |
-19.9 |
0.000 |
0 |
0 |
0 |
0.281 |
| Average: |
34.5 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.281 |
| 16 |
23 |
|
[ACT]A:860 |
3 |
1 |
182 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
822 |
32.9 |
-1.0 |
0.753 |
0 |
0 |
0 |
0.010 |
| 17 |
24 |
|
[59R]B:800 |
3 |
1 |
634 |
f |
[H4B]B:760 |
x,y,z |
1_555 |
3 |
1 |
398 |
31.8 |
0.4 |
0.242 |
1 |
0 |
0 |
0.002 |
25 |
|
[59R]A:800 |
3 |
1 |
625 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
3 |
1 |
400 |
31.3 |
0.3 |
0.236 |
1 |
0 |
0 |
0.002 |
| Average: |
31.6 |
0.3 |
0.239 |
1 |
0 |
0 |
0.002 |
| 18 |
26 |
|
B |
1 |
1 |
20395 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
2 |
20395 |
17.9 |
0.9 |
0.889 |
0 |
0 |
0 |
0.000 |
| 19 |
27 |
|
[59R]B:800 |
2 |
1 |
634 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
20316 |
12.9 |
0.1 |
0.363 |
0 |
0 |
0 |
0.000 |
28 |
|
[59R]A:800 |
2 |
1 |
625 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
20395 |
12.5 |
0.1 |
0.384 |
0 |
0 |
0 |
0.000 |
| Average: |
12.7 |
0.1 |
0.373 |
0 |
0 |
0 |
0.000 |
| 20 |
29 |
|
A |
1 |
1 |
20316 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
20316 |
8.7 |
-0.3 |
0.247 |
0 |
0 |
0 |
0.000 |
| 21 |
30 |
|
A |
1 |
1 |
20316 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
20395 |
2.7 |
0.0 |
0.653 |
0 |
0 |
0 |
0.000 |
|