| ## |
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 |
274 |
71 |
20099 |
◊ |
A |
x,y,z |
1_555 |
267 |
70 |
19980 |
2662.6 |
-39.7 |
0.007 |
38 |
10 |
0 |
0.480 |
| 2 |
2 |
|
A |
65 |
19 |
19980 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
69 |
19 |
20099 |
644.9 |
-1.8 |
0.671 |
13 |
0 |
0 |
0.000 |
| 3 |
3 |
|
[HEM]A:750 |
43 |
1 |
825 |
f |
A |
x,y,z |
1_555 |
81 |
24 |
19980 |
524.1 |
-17.5 |
0.317 |
0 |
0 |
0 |
0.288 |
4 |
|
[HEM]B:750 |
43 |
1 |
830 |
f |
B |
x,y,z |
1_555 |
80 |
25 |
20099 |
520.4 |
-17.3 |
0.338 |
0 |
0 |
0 |
0.288 |
| Average: |
522.3 |
-17.4 |
0.328 |
0 |
0 |
0 |
0.288 |
| 4 |
5 |
|
B |
46 |
14 |
20099 |
x |
B |
x-1,y,z |
1_455 |
56 |
15 |
20099 |
479.8 |
-2.3 |
0.571 |
3 |
0 |
0 |
0.000 |
| 5 |
6 |
|
[HW9]A:800 |
27 |
1 |
667 |
f |
A |
x,y,z |
1_555 |
54 |
20 |
19980 |
385.6 |
-2.5 |
0.390 |
0 |
0 |
0 |
0.041 |
7 |
|
[HW9]B:800 |
26 |
1 |
662 |
f |
B |
x,y,z |
1_555 |
54 |
21 |
20099 |
381.1 |
-2.4 |
0.404 |
0 |
0 |
0 |
0.041 |
| Average: |
383.3 |
-2.5 |
0.397 |
0 |
0 |
0 |
0.041 |
| 6 |
8 |
|
B |
46 |
13 |
20099 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
40 |
11 |
19980 |
372.0 |
-2.4 |
0.524 |
2 |
1 |
0 |
0.000 |
| 7 |
9 |
|
A |
28 |
13 |
19980 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
19 |
8 |
20099 |
196.6 |
1.5 |
0.824 |
1 |
1 |
0 |
0.000 |
| 8 |
10 |
|
[H4B]B:760 |
17 |
1 |
399 |
f |
B |
x,y,z |
1_555 |
28 |
9 |
20099 |
195.3 |
2.0 |
0.470 |
2 |
0 |
0 |
0.000 |
11 |
|
[H4B]A:760 |
17 |
1 |
398 |
f |
A |
x,y,z |
1_555 |
28 |
9 |
19980 |
189.6 |
1.9 |
0.450 |
2 |
0 |
0 |
0.000 |
| Average: |
192.4 |
2.0 |
0.460 |
2 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[HW9]B:800 |
20 |
1 |
662 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
30 |
1 |
830 |
167.6 |
-5.6 |
0.664 |
2 |
0 |
0 |
0.105 |
13 |
|
[HW9]A:800 |
20 |
1 |
667 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
31 |
1 |
825 |
165.5 |
-5.4 |
0.683 |
2 |
0 |
0 |
0.105 |
| Average: |
166.6 |
-5.5 |
0.674 |
2 |
0 |
0 |
0.105 |
| 10 |
14 |
|
[H4B]A:760 |
13 |
1 |
398 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
20099 |
117.1 |
-0.1 |
0.281 |
1 |
0 |
0 |
0.009 |
15 |
|
[H4B]B:760 |
13 |
1 |
399 |
◊ |
A |
x,y,z |
1_555 |
21 |
6 |
19980 |
117.1 |
-0.1 |
0.266 |
1 |
0 |
0 |
0.009 |
| Average: |
117.1 |
-0.1 |
0.273 |
1 |
0 |
0 |
0.009 |
| 11 |
16 |
|
[ACT]B:860 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
20099 |
114.0 |
-1.4 |
0.497 |
1 |
0 |
0 |
0.015 |
| 12 |
17 |
|
[ACT]A:860 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
19980 |
111.6 |
-1.4 |
0.485 |
1 |
0 |
0 |
0.016 |
| 13 |
18 |
|
[H4B]A:760 |
4 |
1 |
398 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
825 |
42.2 |
-1.1 |
0.458 |
2 |
0 |
0 |
0.030 |
19 |
|
[H4B]B:760 |
4 |
1 |
399 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
830 |
42.0 |
-1.1 |
0.464 |
1 |
0 |
0 |
0.030 |
| Average: |
42.1 |
-1.1 |
0.461 |
2 |
0 |
0 |
0.030 |
| 14 |
20 |
|
[ACT]A:860 |
2 |
1 |
182 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
825 |
37.4 |
-1.2 |
0.689 |
0 |
0 |
0 |
0.010 |
| 15 |
21 |
|
[ACT]B:860 |
3 |
1 |
183 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
830 |
36.5 |
-1.1 |
0.749 |
0 |
0 |
0 |
0.009 |
| 16 |
22 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19980 |
34.4 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.251 |
23 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20099 |
34.3 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.251 |
| Average: |
34.4 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.251 |
| 17 |
24 |
|
[HW9]B:800 |
1 |
1 |
662 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
19980 |
27.1 |
-0.9 |
0.182 |
0 |
0 |
0 |
0.014 |
25 |
|
[HW9]A:800 |
1 |
1 |
667 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
20099 |
26.7 |
-0.9 |
0.186 |
0 |
0 |
0 |
0.014 |
| Average: |
26.9 |
-0.9 |
0.184 |
0 |
0 |
0 |
0.014 |
| 18 |
26 |
|
[HW9]A:800 |
2 |
1 |
667 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
2 |
1 |
398 |
20.0 |
0.0 |
0.364 |
0 |
0 |
0 |
0.000 |
27 |
|
[HW9]B:800 |
3 |
1 |
662 |
f |
[H4B]B:760 |
x,y,z |
1_555 |
1 |
1 |
399 |
18.8 |
-0.0 |
0.280 |
0 |
0 |
0 |
0.000 |
| Average: |
19.4 |
-0.0 |
0.322 |
0 |
0 |
0 |
0.000 |
| 19 |
28 |
|
A |
2 |
1 |
19980 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
19980 |
14.7 |
-0.5 |
0.216 |
0 |
0 |
0 |
0.000 |
| 20 |
29 |
|
B |
1 |
1 |
20099 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
2 |
20099 |
7.8 |
0.4 |
0.844 |
0 |
0 |
0 |
0.000 |
| 21 |
30 |
|
A |
1 |
1 |
19980 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
20099 |
5.3 |
-0.0 |
0.508 |
0 |
0 |
0 |
0.000 |
| 22 |
31 |
|
B |
1 |
1 |
20099 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
19980 |
4.8 |
-0.2 |
0.338 |
0 |
0 |
0 |
0.000 |
| 23 |
32 |
|
A |
1 |
1 |
19980 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
19980 |
2.5 |
0.0 |
0.546 |
0 |
0 |
0 |
0.000 |
|